Name: Compound N039-0044
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512913
Cas No:-
常用名:Compound N039-0044
IUPAC:2-{[(6R,12S)-8-hydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:2-{[(6R,12S)-8-hydroxy-4,6,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:RFRQHBOLMUEMMH-IGSWCADISA-N

分子式:C37H60O13
分子量:712.874
氢键供体数 (HBD):8
氢键受体数 (HBA):13
LogP:0.762
SMILES:C[C@@H]1CC(O)OC2C[C@@]3(C)C4C(CC5C6(CC46CCC3(C)C12)CCC(OC1OCC(O)C(O)C1O)C5(C)C)OC1OC(CO)C(O)C(O)C1O |@@:35|
SMILES:C[C@@H]1CC(O)OC2C[C@@]3(C)C4C(CC5C6(CC46CCC3(C)C12)CCC(OC1OCC(O)C(O)C1O)C5(C)C)OC1OC(CO)C(O)C(O)C1O |@@:35|

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