(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one

HCID 69625525
ノート反応
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)C[C@H]1CC(=O)N(C2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1
InChIKey
BSKMCHXCKWARJQ-RZAKBIKASA-N
分子式
C20H35NO11
平均分子量
465.5 g/mol

名称と識別子

優先名称
(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one
IUPAC
(4S)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one

名称と別名

SCHEMBL5976156BSKMCHXCKWARJQ-RZAKBIKASA-N(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5 -trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one

データベース識別子

PubChem CID
69625525

物性

構造計算による物性

XLogP
-2.9
極性表面積
190 Ų
水素結合供与体数
7
水素結合受容体数
11
回転可能結合数
7
重原子数
32

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