Name: Qinyangshengenin 3-digitoxoside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219647588
Cas No:1802801-83-7
常用名:Qinyangshengenin 3-digitoxoside
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-7-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3a,3b-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-7-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3a,3b-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate
InChI key:InChIKey=ATEZNNVIKQPVIN-BTJWURJISA-N

分子式:C34H46O11
分子量:630.731
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:1.887
SMILES:C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](OC(=O)c4ccc(O)cc4)[C@]4(C)[C@@](O)(CC[C@]4(O)[C@]3(O)CC=C2C1)C(C)=O
SMILES:C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](OC(=O)c4ccc(O)cc4)[C@]4(C)[C@@](O)(CC[C@]4(O)[C@]3(O)CC=C2C1)C(C)=O

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