基本情報
- CAS
55780-29-5- 標準SMILES
CC1OC(OC2C(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O- InChIKey
NRTALHZHXXNSOY-UHFFFAOYSA-N- 分子式
- C33H40O21
- 平均分子量
- 772.7 g/mol
- 単同位体質量
- 772.20620828
概要
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one has been reported in Colicodendron scabridum with data available.
名称と識別子
- 優先名称
- 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
- IUPAC
- 2-(3,4-dihydroxyphenyl)-3-[4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxychromen-4-one
名称と別名
55780-29-53-((O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->6))-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-oneRefChem:273039Quercetin 3-(2G-rhamnosylgentiobioside)DTXSID1011002543-[(O-6-Deoxy-I+/--L-mannopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a6)]-I(2)-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
データベース識別子
- CAS
55780-29-5- PubChem CID
- 14309751
- DTXSID
DTXSID101100254
物性
構造計算による物性
- XLogP
- -2.9
- 極性表面積
- 345 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 21
- 回転可能結合数
- 9
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,320
化学と産業
薬理情報
Cellular LocationsCytoplasm
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