Solagenin 6-O-β-D-quinovopyranoside
HIT214317279
sdf文件结构编辑类似物检索
HIT ID: HIT214317279
Cas No: 184686-03-1
分子式: C33H52O8
分子量: 576.771
常用名: Solagenin 6-O-β-D-quinovopyranoside
常用名: Solagenin 6-O-β-D-quinovopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,18'S,19'S)-5,7',9',13'-tetramethyl-19'-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-one
IUPAC: (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,18'S,19'S)-5,7',9',13'-tetramethyl-19'-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-one
SMILES: [H][C@]12C[C@@]3([H])[C@]4([H])C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@@]5([H])CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2
SMILES: [H][C@]12C[C@@]3([H])[C@]4([H])C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@@]5([H])CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2
InChI key: SNQSUOCXDNPQFU-KJPDCRPOSA-N
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