Oxypaeoniflorin
HIT212657876
sdf文件结构编辑类似物检索
HIT ID: HIT212657876
Cas No: 39011-91-1
分子式: C23H28O12
分子量: 496.465
常用名: Oxypaeoniflorin
氢键受体数 (HBA): 11
氢键供体数 (HBD): 6
LogP: -0.6901153
IUPAC: [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl 4-hydroxybenzoate
IUPAC: [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-2-yl]methyl 4-hydroxybenzoate
SMILES: C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |TLB:4:3:7:8.22,THB:20:3:7:8.22|
SMILES: C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |TLB:4:3:7:8.22,THB:20:3:7:8.22|
InChI key: FCHVXNVDFYXLIL-WRJNSLSBSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
4321-3天 购物车
Mcule
SC
6864-5周 购物车
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