Vanillic acid 4-O-β-D-glucopyranoside
HIT219229063
sdf文件结构编辑类似物检索
HIT ID: HIT219229063
Cas No: 879627-80-2
分子式: C25H28O13
分子量: 536.486
常用名: Vanillic acid 4-O-β-D-glucopyranoside
常用名: Vanillic acid 4-O-β-D-glucopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}benzoic acid
IUPAC: 3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}benzoic acid
SMILES: COc1cc(ccc1O[C@@H]1O[C@H](COC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O
SMILES: COc1cc(ccc1O[C@@H]1O[C@H](COC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI key: SSFMJKGLSYRLSQ-KLZOENCOSA-N
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