Yadanzigan
HIT219574092
sdf文件结构编辑类似物检索
HIT ID: HIT219574092
Cas No: 76588-87-9
分子式: C26H38O14
分子量: 574.576
常用名: Yadanzigan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-{[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-en-4-one
IUPAC: 2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-{[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-en-4-one
SMILES: CC1=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C2(C)C1CC1OC(=O)C(O)C3(O)C4(C)OCC13C2C(O)C4O
SMILES: CC1=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C2(C)C1CC1OC(=O)C(O)C3(O)C4(C)OCC13C2C(O)C4O
InChI key: GLBAPTKVDVXEGQ-UHFFFAOYSA-N
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