Name: Gentiobiosyloleandrin
Rating: 5 (10 reviews)

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HIT ID:HIT212522005
Cas No:53270-25-0
常用名:Gentiobiosyloleandrin
IUPAC:(1R,2S,7S,9aS,11aR)-3a-hydroxy-7-{[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-{[(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}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate
IUPAC:(1R,2S,7S,9aS,11aR)-3a-hydroxy-7-{[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-{[(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}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate
InChI key:PKZLCDIEFSFXDK-DUFUQXSKSA-N

分子式:C44H68O19
分子量:901.009
氢键供体数 (HBD):8
氢键受体数 (HBA):17
LogP:-0.595
SMILES:CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@]3(C)[C@H]([C@H](CC43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@H](C)[C@@H]1OC1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |t:32|
SMILES:CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@]3(C)[C@H]([C@H](CC43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@H](C)[C@@H]1OC1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |t:32|

Gentiobiosyloleandrin 是一种有用的有机化合物，可用于生命科学领域的相关研究。其产品编号为 T124701，CAS号为 53270-25-0。

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