(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside
基本情報
- CAS
146445-91-2- 標準SMILES
CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1- InChIKey
DFFIGKBKMNZWMC-UHFFFAOYSA-N- 分子式
- C47H76O18
- 平均分子量
- 929.1 g/mol
- 単同位体質量
- 928.50316557
概要
Hoduloside IV is a triterpenoid.
名称と識別子
- 優先名称
- (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranoside
- IUPAC
- 2-[5-hydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
名称と別名
146445-91-2(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-alpha-L-arabinopyranoside(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosideRefChem:207916Hoduloside IVCHEBI:186226DTXSID101100404(3I(2),16I(2),23R)-16,23:16,30-Diepoxy-20-hydroxy-13-methyldammar-24-en-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranoside2-[5-hydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
データベース識別子
- CAS
146445-91-2- PubChem CID
- 85137972
- DTXSID
DTXSID101100404- ChEBI
CHEBI:186226
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 276 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 18
- 回転可能結合数
- 9
- 重原子数
- 65
- 形式電荷
- 0
- 複雑度
- 1,770
実験および物理化学的性質
Melting Point246 - 248 °C
Physical DescriptionSolid
化学と産業
薬理情報
Cellular LocationsCytoplasm
関連反応
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