Wilfortrine
HIT214314620
sdf文件结构编辑类似物检索
HIT ID: HIT214314620
Cas No: 37239-48-8
分子式: C41H47NO20
分子量: 873.814
常用名: Wilfortrine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0^{1,21}.0^{3,24}.0^{7,12}]hexacosa-7(12),8,10-trien-19-yl furan-3-carboxylate
IUPAC: 20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0^{1,21}.0^{3,24}.0^{7,12}]hexacosa-7(12),8,10-trien-19-yl furan-3-carboxylate
SMILES: CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C11OC3(C)COC(=O)c3cccnc3CCC(C)(O)C(=O)OC(C(OC(=O)c3ccoc3)C2OC(C)=O)C1(C)O |TLB:18:17:24.23:5.11.6|
SMILES: CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C11OC3(C)COC(=O)c3cccnc3CCC(C)(O)C(=O)OC(C(OC(=O)c3ccoc3)C2OC(C)=O)C1(C)O |TLB:18:17:24.23:5.11.6|
InChI key: JOKOHWLSQAZHFX-UHFFFAOYSA-N
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