Name: Compound 0449-0141
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT211254003
Cas No:4562-36-1
常用名:Compound 0449-0141
IUPAC:4-[(3bR,9bS)-7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-2,3a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(3bR,9bS)-7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-2,3a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI key:LKRDZKPBAOKJBT-ZEGQYFAQSA-N

分子式:C41H64O14
分子量:780.949
氢键供体数 (HBD):6
氢键受体数 (HBA):15
LogP:1.2027
SMILES:[H][C@@]12CCC3CC(CCC3(C)[C@@]1([H])CCC1(C)C(C(O)CC21O)C1=CC(=O)OC1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1 |t:27|
SMILES:[H][C@@]12CCC3CC(CCC3(C)[C@@]1([H])CCC1(C)C(C(O)CC21O)C1=CC(=O)OC1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1 |t:27|

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