Bruceoside D
HIT219592035
sdf文件结构编辑类似物检索
HIT ID: HIT219592035
Cas No: 167782-22-1
分子式: C31H40O16
分子量: 668.645
常用名: Bruceoside D
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 15,16-dihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-4,10-dioxo-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-11-ene-17-carboxylic acid
IUPAC: 15,16-dihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-4,10-dioxo-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-11-ene-17-carboxylic acid
SMILES: CC1C2CC3OC(=O)C(OC(=O)C=C(C)C)C4C33COC4(C(O)C(O)C3C2(C)C=C(OC2OC(CO)C(O)C(O)C2O)C1=O)C(O)=O
SMILES: CC1C2CC3OC(=O)C(OC(=O)C=C(C)C)C4C33COC4(C(O)C(O)C3C2(C)C=C(OC2OC(CO)C(O)C(O)C2O)C1=O)C(O)=O
InChI key: CXVWQUMYRFPSCJ-UHFFFAOYSA-N
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