Name: Scillirubroside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212718214
Cas No:23604-99-1
常用名:Scillirubroside
IUPAC:5-[(1R,3aR,3bS,7S,9aR,9bR,11aR)-3a,3b-dihydroxy-9a,11a-dimethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
IUPAC:5-[(1R,3aR,3bS,7S,9aR,9bR,11aR)-3a,3b-dihydroxy-9a,11a-dimethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
InChI key:BJMUUWKMFHDGQB-CZQKLFHBSA-N

分子式:C30H42O10
分子量:562.656
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:0.25286153
SMILES:[H][C@]12CC[C@]3(C)[C@H](CC[C@]3(O)[C@]1(O)CCC1=C[C@H](CC[C@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(=O)oc1 |t:17|
SMILES:[H][C@]12CC[C@]3(C)[C@H](CC[C@]3(O)[C@]1(O)CCC1=C[C@H](CC[C@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(=O)oc1 |t:17|

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