Compound N001-0004
HIT211512836
sdf文件结构编辑类似物检索
HIT ID: HIT211512836
Cas No: -
分子式: C29H44O12
分子量: 584.659
常用名: Compound N001-0004
氢键受体数 (HBA): 13
氢键供体数 (HBD): 8
LogP: -1.4112
IUPAC: 4-[(10R)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC: 4-[(10R)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
SMILES: CC1OC(OC2CC(O)C3(CO)C4[C@H](O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O |t:33|
SMILES: CC1OC(OC2CC(O)C3(CO)C4[C@H](O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O |t:33|
InChI key: LPMXVESGRSUGHW-YGMDXYNPSA-N
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