Quinovic acid 3-O-beta-D-glucoside
HIT213884223
sdf文件结构编辑类似物检索
HIT ID: HIT213884223
Cas No: 79955-41-2
分子式: C36H56O10
分子量: 648.834
常用名: Quinovic acid 3-O-beta-D-glucoside
常用名: Quinovic acid 3-O-beta-D-glucoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acid
IUPAC: (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acid
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:11|
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |c:11|
InChI key: AXNXSFBKZQIMPF-ZZZTYRQWSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
89005日内发货 购物车
Mcule
SC
54084-5周 购物车
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