952579-36-1 (Trikamsteroside D,Trikamsteroside D)

Trikamsteroside D(952579-36-1)名称与标识符

名称

英文别名:
(1beta,3beta,23S,24R,25S)-1-[(O-D-apio-beta-D-Furanosyl-(1→3)-O-6-deoxy-alpha-L-mannopyranosyl-(1→2)-O-[beta-D-xylopyranosyl-(1→3)]-alpha-L-arabinopyranosyl)oxy]-3,20,23,24-tetrahydroxy-spirost-5-en-15-one;Trikamsteroside D;Spirost-5-en-15-one, 1-[(O-D-apio-β-D-furanosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-α-L-arabinopyranosyl)oxy]-3,20,23,24-tetrahydroxy-, (1β,3β,23S,24R,25S)-;

标识符

InChIKey:
FAMHVDBYLLBZKI-UXELGKJKSA-N
Inchi:
1S/C48H74O24/c1-17-12-66-48(39(60)29(17)54)23(11-49)28-36(72-48)32(57)27-21-6-5-19-9-20(51)10-26(46(19,4)22(21)7-8-45(27,28)3)68-43-38(35(25(53)14-64-43)69-41-33(58)31(56)24(52)13-63-41)71-42-34(59)37(30(55)18(2)67-42)70-44-40(61)47(62,15-50)16-65-44/h5,17-18,20-31,33-44,49-56,58-62H,6-16H2,1-4H3/t17-,18-,20+,21+,22-,23-,24+,25-,26+,27+,28-,29+,30-,31-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
SMILES:
C([C@H]1[C@]2([H])[C@]3(CC[C@]4([H])[C@@]5(C(C[C@@H](O)C[C@H]5O[C@]5([H])OC[C@H](O)[C@H](O[C@]6([H])OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O[C@]6([H])OC[C@](O)(CO)[C@H]6O)[C@H]5O)=CC[C@@]4([H])[C@]3([H])C(=O)[C@]2([H])O[C@]21OC[C@H](C)[C@@H](O)[C@@H]2O)C)C)O

Trikamsteroside D(952579-36-1)物化性质

实验特性

  • 溶解度 : Very 微溶 (0.19 g/L) (25 ºC),
  • 颜色与性状 : Powder
  • 密度 : 1.59±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 氢键供体数量 : 13
  • 氢键受体数量 : 24
  • 重原子数量 : 72
  • 疏水参数计算参考值(XlogP) : -4.532

Trikamsteroside D(952579-36-1)推荐厂家 更多厂家(1)

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
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