2-Methyl-1,3,6-trihydroxy-9,10-anthraquinone 3-O-α-rhamnosyl-(1→2)-β-glucoside
HIT212525190
sdf文件结构编辑类似物检索
HIT ID: HIT212525190
Cas No: 87686-88-2
分子式: C27H30O14
分子量: 578.523
常用名: 2-Methyl-1,3,6-trihydroxy-9,10-anthraquinone 3-O-α-rhamnosyl-(1→2)-β-glucoside
常用名: 2-Methyl-1,3,6-trihydroxy-9,10-anthraquinone 3-O-α-rhamnosyl-(1→2)-β-glucoside
氢键受体数 (HBA): 14
氢键供体数 (HBD): 8
LogP: 0.179
IUPAC: 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1,6-dihydroxy-2-methyl-9,10-dihydroanthracene-9,10-dione
IUPAC: 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1,6-dihydroxy-2-methyl-9,10-dihydroanthracene-9,10-dione
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@H](O)[C@H]1O
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@H](O)[C@H]1O
InChI key: UMBHTGLJTANWCB-ICXAYODDSA-N
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SC
1810 购物车
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32893-4周 购物车
Mcule
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25804-5周 购物车
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