Lanatoside B
HIT212665632
sdf文件结构编辑类似物检索
HIT ID: HIT212665632
Cas No: 17575-21-2
分子式: C49H76O20
分子量: 985.127
常用名: Lanatoside B
氢键受体数 (HBA): 20
氢键供体数 (HBD): 8
LogP: 3.236000000000000e+000
IUPAC: (2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-2,3a-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate
IUPAC: (2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-2,3a-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate
SMILES: C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](O)C[C@]32O)C2=CC(=O)OC2)C1 |t:69|
SMILES: C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](O)C[C@]32O)C2=CC(=O)OC2)C1 |t:69|
InChI key: XVAPNQFQPDAROQ-CAPSWCROSA-N
共显示4个结果
供应商规格单价货期纯度操作
TargetMol
SC
2750 购物车
InterBioScreen
NC
28123-5周 购物车
Mcule
SC
29944-5周 购物车
Mcule
SC
24914-5周 购物车
TargetMol | Target Loading
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