Cichorioside B
HIT213888111
sdf文件结构编辑类似物检索
HIT ID: HIT213888111
Cas No:
分子式: C21H28O10
分子量: 440.445
常用名: Cichorioside B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3R,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
IUPAC: (3R,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
SMILES: C[C@@H]1C2[C@H](OC1=O)[C@H]1C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(=O)C1=C(C)C[C@@H]2O |c:23,t:28|
SMILES: C[C@@H]1C2[C@H](OC1=O)[C@H]1C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(=O)C1=C(C)C[C@@H]2O |c:23,t:28|
InChI key: ZEMSXERQBUSFBA-YCJZNLIWSA-N
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