Rauvotetraphylline C
HIT214316147
sdf文件结构编辑类似物检索
HIT ID: HIT214316147
Cas No: 1422506-51-1
分子式: C28H34N2O7
分子量: 510.587
常用名: Rauvotetraphylline C
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3E)-4-[(1S,12S,13R,14R,15E,16R)-15-ethylidene-16-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-13-yl]but-3-en-2-one
IUPAC: (3E)-4-[(1S,12S,13R,14R,15E,16R)-15-ethylidene-16-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-13-yl]but-3-en-2-one
SMILES: [H][C@]12Cc3c([nH]c4ccccc34)[C@]3([H])C[C@H]([C@H]1\C=C\C(C)=O)\C(=C/C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N23 |TLB:4:12:1.16:25.22|
SMILES: [H][C@]12Cc3c([nH]c4ccccc34)[C@]3([H])C[C@H]([C@H]1\C=C\C(C)=O)\C(=C/C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N23 |TLB:4:12:1.16:25.22|
InChI key: WJIXKXVKQDQVFT-QGMXRPOQSA-N
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