Name: herbacetin-3,8-diglucopyranoside
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT213890902
Cas No:99224-12-1
常用名:herbacetin-3,8-diglucopyranoside
常用名:herbacetin-3,8-diglucopyranoside
别名:草质素-3,8-二葡萄糖苷, Linocinamarin
IUPAC:7-({[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl}peroxy)-5-hydroxy-2-(4-hydroxyphenyl)-3,8-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one
IUPAC:7-({[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl}peroxy)-5-hydroxy-2-(4-hydroxyphenyl)-3,8-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one
InChI key:PNSSLYUYAOAPRX-UPRIZSNGSA-N

分子式:C54H58O34
分子量:1251.024
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC[C@H]1O[C@@H](Oc2c(OOC[C@H]3O[C@@H](Oc4c(O)cc(O)c5c4oc(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5=O)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c3c2oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@@H](Oc2c(OOC[C@H]3O[C@@H](Oc4c(O)cc(O)c5c4oc(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5=O)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c3c2oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O

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