56645-88-6 (9(10H)-蒽酮,3-[(6-脱氧-a-L-吡喃甘露糖基)氧基]甲基]-10-b-D-吡喃葡萄糖基-1,8-二羟基-(10S)-,9(10H)-Anthracenone,3-[[(6-deoxy-a-L-mannopyranosyl)oxy]methyl]-10-b-D-glucopyranosyl-1,8-dihydroxy-,(10S)-)

CAS号:
56645-88-6
中文名称:
9(10H)-蒽酮,3-[(6-脱氧-a-L-吡喃甘露糖基)氧基]甲基]-10-b-D-吡喃葡萄糖基-1,8-二羟基-(10S)-
英文名称:
9(10H)-Anthracenone,3-[[(6-deoxy-a-L-mannopyranosyl)oxy]methyl]-10-b-D-glucopyranosyl-1,8-dihydroxy-,(10S)-
分子式:
C27H32O13
分子量:
564.535189628601
植物源:

9(10H)-蒽酮,3-[(6-脱氧-a-L-吡喃甘露糖基)氧基]甲基]-10-b-D-吡喃葡萄糖基-1,8-二羟基-(10S)-(56645-88-6)名称与标识符

名称

中文别名:
芦荟糖苷A;
英文别名:
9(10H)-Anthracenone,3-[[(6-deoxy-a-L-mannopyranosyl)oxy]methyl]-10-b-D-glucopyranosyl-1,8-dihydroxy-,(10S)-;9(10H)-Anthracenone,3-[[(6-deoxy-a-L-mannopyranosyl)oxy]methyl]-10-b-D-glucopyranosyl-1,8-dihydroxy-,(S)-;Aloinoside;Aloinoside A;9(10H)-Anthracenone, 3-[[(6-deoxy-α-L-mannopyranosyl)oxy]methyl]-10-β-D-glucopyranosyl-1,8-dihydroxy-, (10S)-;(10S)-3-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)METHYL)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-9(10H)-ANTHRACENONE;9(10H)-ANTHRACENONE, 3-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)METHYL)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-, (10S)-;(10S)-1,8-Dihydroxy-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)-10H-anthracen-9-one;(10S)-3-(((6-Deoxy-alpha-L-mannopyranosyl)oxy)methyl)-10-beta-D-glucopyranosyl-1,8-dihydroxy-9(10H)-anthracenone;C17779;Q27155270;LYY9W25GAJ;56645-88-6;CS-0906987;HY-N12450;CHEBI:81331;9(10H)-Anthracenone, 3-(((6-deoxy-alpha-L-mannopyranosyl)oxy)methyl)-10-beta-D-glucopyranosyl-1,8-dihydroxy-, (10S)-;UNII-LYY9W25GAJ;(10S)-1,8-dihydroxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-10H-anthracen-9-one;DA-50345;

标识符

InChIKey:
BUPDVJFRVYWYEV-PIVIZACJSA-N
Inchi:
1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16-,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
SMILES:
O[C@@H]1[C@H]([C@H](O)[C@@H](CO)O[C@@]1([H])[C@@]1([H])C2=CC=CC(O)=C2C(=O)C2=C(C=C(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C12)O)O

9(10H)-蒽酮,3-[(6-脱氧-a-L-吡喃甘露糖基)氧基]甲基]-10-b-D-吡喃葡萄糖基-1,8-二羟基-(10S)-(56645-88-6)物化性质

计算特性

  • 精确分子量 : 564.18429107g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 5
  • 同位素质量 : 564.18429107g/mol
  • 重原子数量 : 40
  • 复杂度 : 891
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 11
  • 不确定原子立构中心数量 : 0
  • 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) : -1.2
  • 拓扑分子极性表面积 : 227Ų

9(10H)-蒽酮,3-[(6-脱氧-a-L-吡喃甘露糖基)氧基]甲基]-10-b-D-吡喃葡萄糖基-1,8-二羟基-(10S)-(56645-88-6)推荐厂家 更多厂家(9)