4-[3-(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxycarbonyl-1-(3,4-dihydroxyphenyl)-6-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid

分子结构分类

有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素苷

中文名称

——

中文别名

——

英文名称

4-[3-(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxycarbonyl-1-(3,4-dihydroxyphenyl)-6-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid

英文别名

——

4-[3-(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxycarbonyl-1-(3,4-dihydroxyphenyl)-6-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid化学式

CAS

——

化学式

C₄₈H₄₈O₂₆

mdl

——

分子量

1040.9

InChiKey

QDDFBIHRUMGECD-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-0.9
重原子数：

74
可旋转键数：

18
环数：

7.0
sp3杂化的碳原子比例：

0.35
拓扑面积：

444
氢给体数：

15
氢受体数：

26

同类化合物

鹅掌楸碱罗汉松树脂酚-4'-O-β-龙胆二糖苷络石苷元-4'-O-BETA-龙胆二糖苷络石苷牛蒡苷柑属苷B 松脂醇二葡萄糖苷松脂醇-4-O-beta-D-吡喃葡萄糖苷松脂醇 beta-D-吡喃葡萄糖苷木須皮苷异落叶松脂素-9'-O-beta-D-吡喃葡萄糖苷开环异落叶松脂素BETA-D-葡糖苷地菲林葡萄糖苷南烛木糖甙刺五加苷D 刺五加甙E 刺五加甙 E 刺五加提取物丁香树脂醇双葡萄糖苷 b-D-吡喃葡萄糖苷,4-[(1R,2R)-1,3-二羟基-2-[4-[(1E)-3-羟基-1-丙烯-1-基]-2-甲氧基苯氧基]丙基]-2-甲氧苯基 Ssioriside; (2S,3S)-4-羟基-2,3-双[(4-羟基-3,5-二甲氧基苯基)甲基]丁基 beta-D-吡喃木糖苷 8-羟基松脂醇二葡萄糖苷 8-O-(α-阿拉伯呋喃糖)-β-àpeltatin 4-(1,3-苯并二氧戊环-5-基)-9-[(2S,3R,4S,5R)-3,4-二甲氧基-5-[(2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基四氢吡喃-2-基]氧基-6,7-二甲氧基-1H-苯并[f][2]苯并呋喃-3-酮 4-(1,3-苯并二氧戊环-5-基)-6,7-二甲氧基-9-[(2S,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-1H-苯并[f][2]苯并呋喃-3-酮 3-[2,3-二氢-6-羟基-2-(1-羟基-1-甲基乙基)苯并呋喃-5-基]-8-(beta-D-吡喃葡萄糖基)-2,3-二氢-5,7-二羟基-4H-1-苯并吡喃-4-酮 2,3-双(3-甲氧基-4-羟基苄基)丁烷-1,4-二醇 1,4-二葡萄糖甙 (3S,4R)-4-(苯并[1,3]二氧杂环戊烯-5-基甲基)-3-[(S)-[(2R,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-(3,4,5-三甲氧基苯基)甲基]四氢呋喃-2-酮 (3R,4S)-3-[[4-(beta-D-吡喃葡萄糖基氧基)-3-甲氧基苯基]甲基]-4,5-二氢-4-[(4-羟基-3-甲氧基苯基)甲基]呋喃-2(3H)-酮 (-)-异落叶松脂素-9'-O-BETA-D-吡喃葡萄糖苷 (+)-南烛木树脂酚9'-O-葡萄糖甙 4-O-[2"-O-[6-[4-hydroxypiperidin-1-yl]hexyl]-3",4"-di-O-methyl-β-D-xylopyranosyl]diphyllin 4-O-[2"-O-[8-[4-hydroxypiperidin-1-yl]octyl]-3",4"-di-O-methyl-β-D-xylopyranosyl]diphyllin phyllanthusmin B (2S,3R,4S,5S)-2-((9-(benzo[d][1,3]dioxol-5-yl)-6,7-dimethoxy-1,3-dihydronaphtho[2,3-c]furan-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (2S,3R,4S,5S)-2-((9-(benzo[d][1,3]dioxol-5-yl)-6,7-dimethoxy-3-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate tri-O-acetylpatentiflorin A phyllanthusmin D 2")-β-D-xylopyranosyl-(1""->5")-β-D-apiofuranosyl]diphyllin">4-O-[α-L-arabinopyranosyl-(1"'->2")-β-D-xylopyranosyl-(1""->5")-β-D-apiofuranosyl]diphyllin (+)-syringaresinol 4-O-β-D-glucopyranosyl(1->6)-β-D-glucopyranoside liriodendrin 4-O-[6-O-(5-O-sinapoyl-β-D-apiofuranosyl)-β-D-glucopyranosyl]-(+)-(7S,7'S,8R,8'R)-4'-hydroxy-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane 4-O-[3″,4″-di-O-methyl-β-d-xylopyranosyl]diphyllin (+)-medioresinol di-O-β-D-glucopyranoside (-)-(8S,8'R)-4,4'-dihydroxy-3,3',5'-trimethoxylignan-4'-O-β-D-glucopyranoside (-)-nectandrin B-β-D-glucopyranoside (3S)-4''-O-β-D-Glucopyranosylhinokiresinol 4'-O-β-D-glucopyranosylhinokiresinol (7R,8R)-4,7,9,3′,9′-pentahydroxy-3-methoxy-8,4′-oxyneolignan-3′-O-β-D-glucopyranoside (7S,7'R,8R,8'S)-7'-butoxy-7,9'-epoxy-4,4',9-trihydroxy-3,3'-dimethoxylignane 9-O-β-D-glucopyranoside

4-[3-(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxycarbonyl-1-(3,4-dihydroxyphenyl)-6-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydronaphthalene-2-carbonyl]oxy-2-(1,2-dihydroxyethyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydro-2H-pyran-6-carboxylic acid

分子结构分类

计算性质

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