Name: Compound N045-0007
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT211512923
Cas No:-
常用名:Compound N045-0007
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
InChI key:OBATZBGFDSVCJD-VWDTUUJXSA-N

分子式:C47H74O19
分子量:943.09
氢键供体数 (HBD):9
氢键受体数 (HBA):20
LogP:-0.4639
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|

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