2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
基本情報
- CAS
60478-68-4- 標準SMILES
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
VNONINPVFQTJOC-UHFFFAOYSA-N- 分子式
- C45H72O16
- 平均分子量
- 869 g/mol
- 単同位体質量
- 868.4820362
概要
dioscin has been reported in Dioscorea tokoro, Costus, and other organisms with data available.
名称と識別子
- 優先名称
- 2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- IUPAC
- 2-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
名称と別名
60478-68-42-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triolC45H72O16Dioscin [M+H]+DTXSID20975887HMS5080P18NSC115920s2379NSC-115920spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranosideLS-15467L023969
名称をさらに表示
2-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
データベース識別子
- CAS
60478-68-4- PubChem CID
- 271916
- DTXSID
DTXSID20975887
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 236 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 16
- 回転可能結合数
- 7
- 重原子数
- 61
- 形式電荷
- 0
- 複雑度
- 1,600
関連反応
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