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羊齿天冬苷C | 131123-74-5

羊齿天冬苷C结构式图片|131123-74-5结构式图片
羊齿天冬苷C
b-D-Glucopyranoside, (3b,5b,22a,25S)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurostan-3-ylO-a-L-arabinopyranosyl-(1®6)-O-[b-D-xylopyranosyl-(1®4)]- (9CI)
131123-74-5
C49H82O22
1023.16218
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:羊齿天冬苷C结构式
148363
名称和标识符
InChIKey GNLNTGLCBAHLPE-UHFFFAOYSA-N
Inchi InChI=1S/C49H82O22/c1-20(16-63-44-40(60)36(56)35(55)30(15-50)68-44)7-12-49(62)21(2)32-29(71-49)14-26-24-6-5-22-13-23(8-10-47(22,3)25(24)9-11-48(26,32)4)67-46-41(61)37(57)42(70-45-39(59)34(54)28(52)18-65-45)31(69-46)19-66-43-38(58)33(53)27(51)17-64-43/h20-46,50-62H,5-19H2,1-4H3
SMILES OCC1OC(OCC(CCC2(OC3C(C4(CCC5C6(CCC(OC7OC(COC8OCC(O)C(O)C8O)C(OC8OCC(O)C(O)C8O)C(O)C7O)CC6CCC5C4C3)C)C)C2C)O)C)C(O)C(O)C1O
别名信息
- 中文别名 -
  • 羊齿天冬苷C
- 英文别名 -
  • Aspafilioside C
  • b-D-Glucopyranoside, (3b,5b,22a,25S)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurostan-3-ylO-a-L-a...
  • 26-(hexopyranosyloxy)-22-hydroxyfurostan-3-yl pentopyranosyl-(1->4)-[pentopyranosyl-(1->6)]hexopyranoside
  • 4)]- (9CI)
  • 5beta-Furost-3beta,22,26-triol-3-O-beta-D-xylopyranosyl-(1-4)-(alpha-L-arabinopyranosyl (1-6))-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside
  • b-D-Glucopyranoside, (3b,5b,22a,25S)-26-(b-D-glucopyranosyloxy)-22-hydroxyfurostan-3-ylO-a-L-arabinopyranosyl-(1&reg
  • beta-D-Glucopyranoside, (3beta,5beta,22alpha,25S)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-alpha-L-arabinopyranosyl-(1-6)-O-(beta-D-xylopyranosyl-(1-4))-
  • 131123-74-5
  • 2-[4-[16-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • 22-Hydroxy-3-{[pentopyranosyl-(1->4)-[pentopyranosyl-(1->6)]hexopyranosyl]oxy}furostan-27-yl hexopyranoside
  • DTXSID20927083
  • aspafilioside C
  • 5 beta-furost-3 beta,22,26-triol-3-O-beta-D-xylopyranosyl-(1-4)-(alpha-L-arabinopyranosyl (1-6))-beta-D-glucopyranoside-26-O-beta-D-glucopyranoside
物化性质
实验特性
PSA 346.06
计算特性
精确分子量 1022.52986
氢键供体数量 13
氢键受体数量 22
可旋转化学键数量 14
同位素质量 1022.52977424g/mol
重原子数量 71
复杂度 1770
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 30
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -1.3
拓扑分子极性表面积 346Ų
专业数据库参考
PubChemId 148363
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