4,6-Dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl hexopyranoside
基本情報
- CAS
71869-92-6- 標準SMILES
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O- InChIKey
WEDWQCPYKKZMDF-UHFFFAOYSA-N- 分子式
- C37H63NO28
- 平均分子量
- 969.9 g/mol
- 単同位体質量
- 969.35366035
概要
Trestatin B has been reported in Streptomyces with data available.
名称と識別子
- 優先名称
- 4,6-Dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl hexopyranoside
- IUPAC
- 2-[5-[5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
名称と別名
DTXSID609925784,6-Dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl hexopyranoside4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl hexopyranosideRefChem:1069495DTXCID7014196452-[5-[5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolRo 09-0184alpha-D-Glucopyranoside, alpha-D-glucopyranosyl O-4,6-dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-SCHEMBL5161010
データベース識別子
- CAS
71869-92-6
物性
構造計算による物性
- XLogP
- -12.3
- 極性表面積
- 479 Ų
- 水素結合供与体数
- 20
- 水素結合受容体数
- 29
- 回転可能結合数
- 15
- 重原子数
- 66
- 形式電荷
- 0
- 複雑度
- 1,560
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