Name: Yadanzioside K
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316272
Cas No:101559-98-2
常用名:Yadanzioside K
别名:鸦胆子苷K
IUPAC:methyl 3-{[4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-ene-17-carboxylate
IUPAC:methyl 3-{[4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-ene-17-carboxylate
InChI key:YJWLVGXIHBVPPC-UHFFFAOYSA-N

分子式:C36H48O18
分子量:768.762
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C12OCC34C1C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C(=O)OC3CC1C(C)=C(OC3OC(CO)C(O)C(O)C3O)C(=O)CC1(C)C4C(O)C2O |w:13.13,t:32,TLB:9:8:49.50.52:5.6|
SMILES:COC(=O)C12OCC34C1C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C(=O)OC3CC1C(C)=C(OC3OC(CO)C(O)C(O)C3O)C(=O)CC1(C)C4C(O)C2O |w:13.13,t:32,TLB:9:8:49.50.52:5.6|

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