Name: Compound N062-0002
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512953
Cas No:-
常用名:Compound N062-0002
IUPAC:(1R,4S,5R,9S,10R,13S)-13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
IUPAC:(1R,4S,5R,9S,10R,13S)-13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
InChI key:OMHUCGDTACNQEX-YLXWABARSA-N

分子式:C32H50O13
分子量:642.739
氢键供体数 (HBD):8
氢键受体数 (HBA):14
LogP:-0.2832
SMILES:[H][C@@]12CC[C@@]3(C[C@]1(CC3=C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
SMILES:[H][C@@]12CC[C@@]3(C[C@]1(CC3=C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

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