Compound N016-0014
HIT211512860
sdf文件结构编辑类似物检索
HIT ID: HIT211512860
Cas No: -
分子式: C63H80O16
分子量: 1093.317
常用名: Compound N016-0014
氢键受体数 (HBA): 20
氢键供体数 (HBD): 5
LogP: 8.8555
IUPAC: benzyl 6-{[(6aR,6bS,8aS,11S,14bS)-11-[(benzyloxy)carbonyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-({6-[(benzyloxy)carbonyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxane-2-carboxylate
IUPAC: benzyl 6-{[(6aR,6bS,8aS,11S,14bS)-11-[(benzyloxy)carbonyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-({6-[(benzyloxy)carbonyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxane-2-carboxylate
SMILES: CC1(C)C(CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)OCc1ccccc1)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |t:18,@@:1|
SMILES: CC1(C)C(CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)OCc1ccccc1)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |t:18,@@:1|
InChI key: PLFXIIUVMCJPBZ-CQIUSZNYSA-N
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