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Substance Name: Saponarioside G
RN: 223376-72-5
InChIKey: GAEHQHKGPCGEPQ-BEXUNXHQSA-N

Molecular Formula

  • C53-H84-O25

Molecular Weight

  • 1121.2216
 
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Names and Synonyms

Results Name

  • Saponarioside G

Synonym

  • Saponarioside G

Systematic Name

  • Olean-12-ene-23,28-dioic acid, 16-hydroxy-3-(beta-D-xylopyranosyloxy)-, 28-(O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-beta-D-glucopyranosyl) ester, (3beta,4alpha,16alpha)-

Registry Numbers

CAS Registry Number

  • 223376-72-5

System Generated Number

  • 0223376725

Structure Descriptors

InChI

1S/C53H84O25/c1-48(2)13-14-53(47(70)78-45-40(67)41(77-44-39(66)36(63)33(60)25(18-55)74-44)34(61)26(75-45)20-72-42-38(65)35(62)32(59)24(17-54)73-42)22(15-48)21-7-8-27-49(3)11-10-30(76-43-37(64)31(58)23(56)19-71-43)52(6,46(68)69)28(49)9-12-50(27,4)51(21,5)16-29(53)57/h7,22-45,54-67H,8-20H2,1-6H3,(H,68,69)/t22-,23+,24+,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45-,49+,50+,51+,52-,53+/m0/s1

InChIKey

GAEHQHKGPCGEPQ-BEXUNXHQSA-N

Smiles

CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O