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Substance Name: Gymnocladus saponin G
RN: 108886-09-5
InChIKey: WMAZPOHEKKGNRD-BVRSQSLVSA-N

Molecular Formula

  • C100-H160-O53

Molecular Weight

  • 2210.311
 
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Names and Synonyms

Results Name

  • Gymnocladus saponin G

Synonym

  • Gymnocladus saponin G

Registry Numbers

CAS Registry Number

  • 108886-09-5

Other Registry Number

  • 116808-34-5

System Generated Number

  • 0108886095

Structure Descriptors

InChI

1S/C100H160O53/c1-14-36(3)81(129)141-50-34-137-87(74(128)77(50)148-89-70(124)63(117)59(113)47(27-101)142-89)153-95(9,15-2)21-16-17-37(4)82(130)145-54-26-100(93(131)152-92-79(65(119)61(115)49(144-92)32-136-83-69(123)62(116)55(109)38(5)139-83)150-88-72(126)66(120)75(39(6)140-88)146-86-73(127)76(46(107)31-134-86)147-84-67(121)56(110)43(104)28-132-84)41(23-94(54,7)8)40-18-19-52-96(10)24-42(103)80(97(11,35-102)51(96)20-22-98(52,12)99(40,13)25-53(100)108)151-90-71(125)64(118)60(114)48(143-90)33-138-91-78(58(112)45(106)30-135-91)149-85-68(122)57(111)44(105)29-133-85/h15,17-18,36,38-39,41-80,83-92,101-128H,2,14,16,19-35H2,1,3-13H3/b37-17+/t36?,38-,39-,41-,42-,43+,44+,45-,46+,47+,48+,49+,50-,51+,52+,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75-,76-,77-,78+,79+,80-,83+,84-,85-,86-,87-,88-,89-,90-,91-,92-,95+,96-,97-,98+,99+,100+/m0/s1

InChIKey

WMAZPOHEKKGNRD-BVRSQSLVSA-N

Smiles

CCC(C)C(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@](C)(CC/C=C(\C)/C(=O)O[C@H]3C[C@@]4([C@H](C[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O)C)C)[C@@H]4CC3(C)C)C)O)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)C=C