226572-11-8 (刺人参苷S,Cirenshenoside S)

刺人参苷S(226572-11-8)名称与标识符

名称

中文别名:
刺人参苷S;刺人参苷 S;
英文别名:
Lup-20(29)-en-28-oicacid, 3-(b-D-glucopyranosyloxy)-23-hydroxy-,O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)- (9CI);CirenshenosideS;(3beta,4alpha)-3-(beta-D-Glucopyranosyloxy)-23-hydroxylup-20(29)-en-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1→4)-O-beta-D-glucopyranosyl-(1→6)-beta-D-glucopyranosyl ester;CID 133561692;Cirenshenoside S;6)-beta-D-glucopyranosyl ester;(3beta,4alpha)-3-(beta-D-Glucopyranosyloxy)-23-hydroxylup-20(29)-en-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester;Cirenshenoside S USP/EP/BP;Lup-20(29)-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β,4α)-;

标识符

InChIKey:
SAJIUZSFTKLJCY-UHFFFAOYSA-N
Inchi:
1S/C54H88O23/c1-22(2)24-10-15-54(49(69)77-48-42(67)38(63)35(60)28(74-48)20-70-45-43(68)39(64)44(27(19-56)73-45)76-46-40(65)36(61)33(58)23(3)71-46)17-16-52(6)25(32(24)54)8-9-30-50(4)13-12-31(51(5,21-57)29(50)11-14-53(30,52)7)75-47-41(66)37(62)34(59)26(18-55)72-47/h23-48,55-68H,1,8-21H2,2-7H3
SMILES:
O(C1C(C(C(C(CO)O1)O)O)O)C1CCC2(C)C(C1(C)CO)CCC1(C)C2CCC2C3C(C(=C)C)CCC3(C(=O)OC3C(C(C(C(COC4C(C(C(C(CO)O4)OC4C(C(C(C(C)O4)O)O)O)O)O)O3)O)O)O)CCC12C

刺人参苷S(226572-11-8)物化性质

实验特性

  • 溶解度 : Insuluble (3.1E-3 g/L) (25 ºC),
  • 酸度系数(pKa) : 12.50±0.70(Predicted)
  • 密度 : 1.47±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 氢键供体数量 : 14
  • 氢键受体数量 : 23
  • 可旋转化学键数量 : 14
  • 重原子数量 : 77
  • 复杂度 : 2090
  • 拓扑分子极性表面积 : 374

刺人参苷S(226572-11-8)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
四川维克奇生物科技有限公司 13348961525杨洋 2851167780
询单
武汉顶全科技有限公司 18971486879
027-84394403
金鑫磊 2821357458 询单