cis-Tiliroside
HIT101106442
sdf文件结构编辑类似物检索
HIT ID: HIT101106442
Cas No: 163956-16-9
分子式: C30H26O13
分子量: 594.525
常用名: cis-Tiliroside
氢键受体数 (HBA): 12
氢键供体数 (HBD): 7
LogP: 2.889
IUPAC: [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-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}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-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](O)[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](O)[C@H]1O
InChI key: DVGGLGXQSFURLP-PYFXTMFGSA-N
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