19-Norlanost-5-en-11-one, 3-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-25-(beta-D-glucopyranosyloxy)-24-hydroxy-9-methyl-, (3beta,9beta,10alpha)-
基本情報
- CAS
83725-20-6- 標準SMILES
CC(CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C- InChIKey
HJQGJABPOHIRGH-UHFFFAOYSA-N- 分子式
- C48H80O18
- 平均分子量
- 945.1 g/mol
- 単同位体質量
- 944.5344657
概要
Bryoside has been reported in Bryonia cretica with data available.
名称と識別子
- 優先名称
- 19-Norlanost-5-en-11-one, 3-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-25-(beta-D-glucopyranosyloxy)-24-hydroxy-9-methyl-, (3beta,9beta,10alpha)-
- IUPAC
- 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-17-[5-hydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
名称と別名
83725-20-6Bryoside19-Norlanost-5-en-11-one, 3-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-25-(beta-D-glucopyranosyloxy)-24-hydroxy-9-methyl-, (3beta,9beta,10alpha)-DTXSID20131874325-(Hexopyranosyloxy)-24-hydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-1-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
データベース識別子
- CAS
83725-20-6- PubChem CID
- 53260802
- DTXSID
DTXSID201318743
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 295 Ų
- 水素結合供与体数
- 11
- 水素結合受容体数
- 18
- 回転可能結合数
- 13
- 重原子数
- 66
- 形式電荷
- 0
- 複雑度
- 1,750
関連反応
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化合物ノート
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