Name: CLINODISIDE A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212657917
Cas No:916347-31-4
常用名:CLINODISIDE A
别名:醉鱼草皂苷IVb, 断血流皂苷A
IUPAC:2-[(4,5-dihydroxy-6-{[8-hydroxy-5,8a-bis(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:2-[(4,5-dihydroxy-6-{[8-hydroxy-5,8a-bis(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:HVRAMEAUCOTBHH-UHFFFAOYSA-N

分子式:C48H78O19
分子量:959.133
氢键供体数 (HBD):13
氢键受体数 (HBA):19
LogP:-2.2632065
SMILES:CC1(C)CCC2(CO)C(O)CC3(C)C(C=CC4C5(C)CCC(CC5C(C)(CO)CC34C)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=C2C1 |c:14,70|
SMILES:CC1(C)CCC2(CO)C(O)CC3(C)C(C=CC4C5(C)CCC(CC5C(C)(CO)CC34C)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=C2C1 |c:14,70|

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