Name: Compound N039-0038
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512912
Cas No:-
常用名:Compound N039-0038
IUPAC:2-[(4,5-dihydroxy-2-{[(9S,12S)-14-hydroxy-15-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}oxan-3-yl)oxy]oxane-3,4,5-triol
IUPAC:2-[(4,5-dihydroxy-2-{[(9S,12S)-14-hydroxy-15-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}oxan-3-yl)oxy]oxane-3,4,5-triol
InChI key:NAUZBQMEOYSERD-RLNTWMIJSA-N

分子式:C45H74O17
分子量:887.07
氢键供体数 (HBD):10
氢键受体数 (HBA):17
LogP:0.133
SMILES:CC(C)(O)C1CC[C@@](C)(O1)C1C(O)C[C@@]2(C)C3C[C@H](OC4OCC(O)C(O)C4O)C4C5(CC35CCC12C)CCC(OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1O)C4(C)C |@@:59|
SMILES:CC(C)(O)C1CC[C@@](C)(O1)C1C(O)C[C@@]2(C)C3C[C@H](OC4OCC(O)C(O)C4O)C4C5(CC35CCC12C)CCC(OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1O)C4(C)C |@@:59|

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