Kanokoside D
HIT100118718
sdf文件结构编辑类似物检索
HIT ID: HIT100118718
Cas No: 64703-88-4
分子式: C27H44O16
分子量: 624.633
常用名: Kanokoside D
氢键受体数 (HBA): 15
氢键供体数 (HBD): 9
LogP: -3.982
IUPAC: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-(hydroxymethyl)-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate
IUPAC: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-(hydroxymethyl)-4-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate
SMILES: CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@H](CO)[C@@H]12 |t:9|
SMILES: CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@@H](CO)[C@@H]12 |t:9|
InChI key: AKTRFOPOAKDICT-GHHIWPQQSA-N
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