1078708-71-0 (远志皂苷 Y,onjisaponin Y)

远志皂苷 Y(1078708-71-0)名称与标识符

名称

中文别名:
远志皂苷 Y;远志皂苷Y;
英文别名:
3-O-beta-D-glucopyranosyl-presenegenin 28-O-beta-D-xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2 )-[alpha-L-rhamnopyranosyl-(1->3 )]-[4-O-p-methoxycinnamoyl]-beta-D-fucopyranosyl ester;onjisaponin Y;Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, 28-[O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→3)]-6-deoxy-4-O-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-galactopyranosyl] ester, (2β,3β,4α)-;

标识符

InChIKey:
FKFZRRZWRMNQOP-PUKGLUOJSA-N
Inchi:
1S/C69H102O30/c1-29-42(75)45(78)49(82)58(90-29)96-54-53(94-41(74)17-12-32-10-13-33(88-9)14-11-32)31(3)92-61(55(54)97-59-51(84)47(80)52(30(2)91-59)95-57-48(81)43(76)37(73)27-89-57)99-63(87)68-21-20-64(4,5)24-35(68)34-15-16-39-65(6)25-36(72)56(98-60-50(83)46(79)44(77)38(26-70)93-60)67(8,62(85)86)40(65)18-19-66(39,7)69(34,28-71)23-22-68/h10-15,17,29-31,35-40,42-61,70-73,75-84H,16,18-28H2,1-9H3,(H,85,86)/b17-12+/t29-,30-,31+,35-,36-,37+,38+,39+,40+,42-,43-,44+,45+,46-,47-,48+,49+,50+,51+,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,65+,66+,67-,68-,69-/m0/s1
SMILES:
C([C@@]12CC[C@]3(CCC(C[C@@]3([H])C1=CC[C@]1([H])[C@]3(C[C@@H]([C@@H]([C@@]([C@]3([H])CC[C@@]21C)(C)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(=O)/C=C/C1C=CC(=CC=1)OC)C)O

远志皂苷 Y(1078708-71-0)物化性质

实验特性

  • 酸度系数(pKa) : 4.14±0.70(Predicted)
  • 密度 : 1.50±0.1 g/cm3(Predicted)

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