Neochlorogenin 6-O-α-L-rhamnopyranosyl-(1→3)-β-D-quinovopyranoside
HIT214317276
sdf文件结构编辑类似物检索
HIT ID: HIT214317276
Cas No: 184686-01-9
分子式: C39H64O12
分子量: 724.929
常用名: Neochlorogenin 6-O-α-L-rhamnopyranosyl-(1→3)-β-D-quinovopyranoside
常用名: Neochlorogenin 6-O-α-L-rhamnopyranosyl-(1→3)-β-D-quinovopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-methyl-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S,18'S,19'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-oloxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC: (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-methyl-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S,18'S,19'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-oloxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
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]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@@]5([H])C[C@@H](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]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@@]5([H])C[C@@H](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: XASDQEOMZDFLDT-WIDLZBMUSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
4420 购物车
AnyMole
SC
4650 购物车
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