3"-O-Desmethylspinorhamnoside
HIT214316956
sdf文件结构编辑类似物检索
HIT ID: HIT214316956
Cas No: 2220243-41-2
分子式: C33H38O15
分子量: 674.652
常用名: 3"-O-Desmethylspinorhamnoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-8-(2-hydroxypropan-2-yl)-2-(4-methoxyphenyl)-4H-furo[2,3-h]chromen-4-one
IUPAC: 3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-8-(2-hydroxypropan-2-yl)-2-(4-methoxyphenyl)-4H-furo[2,3-h]chromen-4-one
SMILES: COc1ccc(cc1)-c1oc2c3cc(oc3cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O
SMILES: COc1ccc(cc1)-c1oc2c3cc(oc3cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O
InChI key: HZYVKPMTUKWUOG-CYDBVHSLSA-N
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