Kaempferol-3-O-[2″,6″-di-O-E-p-coumaroyl]-β-D-glucopyranoside
HIT214312602
sdf文件结构编辑类似物检索
HIT ID: HIT214312602
Cas No: 121651-61-4
分子式: C39H32O15
分子量: 740.67
常用名: Kaempferol-3-O-[2″,6″-di-O-E-p-coumaroyl]-β-D-glucopyranoside
常用名: Kaempferol-3-O-[2″,6″-di-O-E-p-coumaroyl]-β-D-glucopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC: [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1O
InChI key: YXXQUJGFZPLXJV-AIBWQOBZSA-N
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