Methyl 3-O-glucopyranosyl-2-O-(6-O-(glucopyranosyluronic acid)glucopyranosyl)rhamnopyranoside
基本情報
- CAS
128643-92-5- 標準SMILES
COC1OC(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(COC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
JLGBHQRXLBYEBD-UHFFFAOYSA-N- 分子式
- C25H42O21
- 平均分子量
- 678.6 g/mol
- 単同位体質量
- 678.22185834
概要
structure given in first source
名称と識別子
- 優先名称
- Methyl 3-O-glucopyranosyl-2-O-(6-O-(glucopyranosyluronic acid)glucopyranosyl)rhamnopyranoside
- IUPAC
- 3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
- 英語名
- alpha-L-Mannopyranoside, methyl O-beta-D-glucopyranosyl-(1-3)-O-(O-bet a-D-glucopyranuronosyl-(1-6)-alpha-D-glucopyranosyl-(1-2))-6-deoxy-
- 分子式
- C25H42O21
- 分子量
- 678.58838
名称と別名
MGGGR128643-92-5Methyl 3-O-glucopyranosyl-2-O-(6-O-(glucopyranosyluronic acid)glucopyranosyl)rhamnopyranosideRefChem:1575193,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acidMethyl O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-glucopyranuronosyl-(1-6)-alpha-D-glucopyranosyl-(1-2))-6-deoxy-alpha-L-mannopyranosidealpha-L-Mannopyranoside, methyl O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-glucopyranuronosyl-(1-6)-alpha-D-glucopyranosyl-(1-2))-6-deoxy-DTXSID10926181alpha-L-Mannopyranoside, methyl O-beta-D-glucopyranosyl-(1-3)-O-(O-bet a-D-glucopyranuronosyl-(1-6)-Methyl hexopyranosyl-(1->3)-[hexopyranuronosyl-(1->6)hexopyranosyl-(1->2)]-6-deoxyhexopyranosidealpha-L-Mannopyranoside, methyl O-beta-D-glucopyranosyl-(1-3)-O-(O-bet a-D-glucopyranuronosyl-(1-6)-alpha-D-glucopyranosyl-(1-2))-6-deoxy-
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- -6.6
- 極性表面積
- 334 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 21
- 回転可能結合数
- 10
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 991
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