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Substance Name: Soyasaponin A2
RN: 78693-93-3
InChIKey: QSWYVJWAKZGGIL-ISQBHCSUSA-N

Molecular Formula

  • C53-H86-O24

Molecular Weight

  • 1107.24
 
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Names and Synonyms

Results Name

  • Soyasaponin A2

Synonym

  • Soyasaponin A2

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,21beta,22beta)-22-((3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-21,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-

Registry Numbers

CAS Registry Number

  • 78693-93-3

System Generated Number

  • 0078693933

Structure Descriptors

InChI

1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)/t22-,23+,24-,25-,26?,27?,28?,29-,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42+,44+,45-,46+,47-,49-,50+,51?,52-,53-/m1/s1

InChIKey

QSWYVJWAKZGGIL-ISQBHCSUSA-N

Smiles

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)[C@@H](O)[C@@H](O)[C@H](O1)C(=O)O)[C@@H]1CC[C@@]2([C@@H]3CC=C4[C@H]5CC([C@@H]([C@@H]([C@@]5(CC[C@@]4([C@@]3(CC[C@@H]2[C@@]1(CO)C)C)C)C)O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)CO1)O)(C)C)C