基本情報
- CAS
144077-05-4- 標準SMILES
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@H]2C1- InChIKey
MROYUZKXUGPCPD-FMGADNLDSA-N- 分子式
- C54H88O23
- 平均分子量
- 1,105.3 g/mol
- 単同位体質量
- 1,104.57163905
概要
Congmunoside V has been reported in Aralia decaisneana with data available.
名称と識別子
- 優先名称
- beta-D-Glucopyranosyl (3beta)-3-((O-beta-D-glucopyranosyl-(1->3)-O-(beta-D-glucopyranosyl-(1->4))-beta-D-glucopyranosyl)oxy)olean-12-en-28-oate
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
名称と別名
Araloside G144077-05-43-O-beta-D-Glucopyranosyl(1-3)(beta-D-glucopyranosyl(1-4))-beta-D-glucopyranosyl-oleanolic acid-28-O-beta-D-glucopyranosideRefChem:113698DTXCID001535036beta-D-Glucopyranosyl (3beta)-3-((O-beta-D-glucopyranosyl-(1->3)-O-(beta-D-glucopyranosyl-(1->4))-beta-D-glucopyranosyl)oxy)olean-12-en-28-oateOlean-12-en-28-oic--acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-, beta-D-glucopyranosyl ester, (3beta)-DTXSID601103358Congmunoside VSCHEMBL29934828340963-86-2[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-hepta
名称をさらに表示
Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-, beta-D-glucopyranosyl ester, (3beta)-Olean-12-en-28-oic-acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-, beta-D-glucopyranosyl ester, (3beta)-
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 374 Ų
- 水素結合供与体数
- 14
- 水素結合受容体数
- 23
- 回転可能結合数
- 13
- 重原子数
- 77
- 形式電荷
- 0
- 複雑度
- 2,110
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