Compound N045-0007
HIT211512923
sdf文件结构编辑类似物检索
HIT ID: HIT211512923
Cas No: -
分子式: C47H74O19
分子量: 943.09
常用名: Compound N045-0007
氢键受体数 (HBA): 20
氢键供体数 (HBD): 9
LogP: -0.4639
IUPAC: 4-[(3bR,9bS)-3a,11-dihydroxy-7-{[4-hydroxy-5-({4-hydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC: 4-[(3bR,9bS)-3a,11-dihydroxy-7-{[4-hydroxy-5-({4-hydroxy-5-[(4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
SMILES: [H][C@@]12CCC3CC(CCC3(C)[C@@]1([H])CC(O)C1(C)C(CCC21O)C1=CC(=O)OC1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1 |t:27|
SMILES: [H][C@@]12CCC3CC(CCC3(C)[C@@]1([H])CC(O)C1(C)C(CCC21O)C1=CC(=O)OC1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1 |t:27|
InChI key: OBATZBGFDSVCJD-VWDTUUJXSA-N
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