Syringetin-3-O-rutinoside
HIT213884994
sdf文件结构编辑类似物检索
HIT ID: HIT213884994
Cas No: 53430-50-5
分子式: C29H34O17
分子量: 654.574
常用名: Syringetin-3-O-rutinoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
SMILES: COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChI key: BWDMLCWSGGUHGK-MWLOISQDSA-N
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