Campneoside I
HIT218847679
sdf文件结构编辑类似物检索
HIT ID: HIT218847679
Cas No: 95519-12-3
分子式: C30H38O16
分子量: 654.618
常用名: Campneoside I
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC: (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES: COC(CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)c1ccc(O)c(O)c1
SMILES: COC(CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)c1ccc(O)c(O)c1
InChI key: OWIYIDLFNMCIFO-HGTLEYCVSA-N
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