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Substance Name: Gipsoside
RN: 15588-68-8
InChIKey: VJDBQMHOQSSGGS-UHFFFAOYSA-N

Molecular Formula

  • C80-H126-O44

Molecular Weight

  • 1791.83
 
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Names and Synonyms

Name of Substance

  • Gipsoside

Synonyms

  • (3beta,4alpha)-23,28-Dioxo-28-((O-D-xylopyranosyl-(1-3)-O-6-deoxy-D-galactopyranosyl-(1-4)-O-(O-D-xylopyranosyl-(1-3)-D-xylopyranosyl-(1-2))-6-deoxy-L-mannopyranosyl)oxy)olean-12-en-3-yl O-L-arabinopyranosyl-(1-3)-O-(O-D-galactopyranosyl-(1-4)-D-glucopyranosyl-(1-4))-D-glucopyransidosiduronic acid
  • Gipsoside
  • Gypsoside

Systematic Names

  • D-Glucopyransidosiduronic acid, (3beta,4alpha)-23,28-dioxo-28-((O-D-xylopyranosyl-(1-3)-O-6-deoxy-D-galactopyranosyl-(1-4)-O-(O-D-xylopyranosyl-(1-3)-D-xylopyranosyl-(1-2))-6-deoxy-L-mannopyranosyl)oxy)olean-12-en-3-yl O-L-arabinopyranosyl-(1-3)-O-(O-D-galactopyranosyl-(1-4)-D-glucopyranosyl-(1-4))-
  • Olean-12-en-28-oic acid, 3-beta-((O-L-arabinopyranosyl-(1-3)-O-(O-D-galactopyranosyl-(1-4)-D-glucopyranosyl-(1-4))-D-glucopyranuronosyl)oxy)-23-oxo-, O-D-xylopyranosyl-(1-3)-O-6-deoxy-D-galactopyranosyl-(1-4)-O-(O-D-xylopyranosyl-(1-3)-D-xylopyranosyl-(1-2))-6-deoxy-L-mannopyranosyl ester

Registry Numbers

CAS Registry Number

  • 15588-68-8

System Generated Number

  • 0015588688

Structure Descriptors

InChI

1S/C80H126O44/c1-27-40(88)59(119-66-48(96)42(90)32(85)23-108-66)54(102)71(111-27)116-56-28(2)112-73(61(52(56)100)121-68-53(101)57(34(87)25-110-68)117-65-47(95)41(89)31(84)22-107-65)124-74(106)80-17-15-75(3,4)19-30(80)29-9-10-38-76(5)13-12-39(77(6,26-83)37(76)11-14-79(38,8)78(29,7)16-18-80)115-72-55(103)60(120-67-49(97)43(91)33(86)24-109-67)62(63(123-72)64(104)105)122-70-51(99)46(94)58(36(21-82)114-70)118-69-50(98)45(93)44(92)35(20-81)113-69/h9,26-28,30-63,65-73,81-82,84-103H,10-25H2,1-8H3,(H,104,105)

InChIKey

VJDBQMHOQSSGGS-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]1[C@@H](CO[C@@H]([C@@H]1O)O[C@@H]1[C@@H](OC([C@@]23CC[C@@]4([C@@]5(CC[C@@H]6[C@@]([C@@H](CC[C@@]6([C@@H]5CC=C4[C@@H]2CC(CC3)(C)C)C)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)CO2)O[C@@H]2O[C@@H](CO)[C@@H]([C@@H]([C@@H]2O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)O)O)CO)C(=O)O)(C)C=O)C)C)=O)O[C@@H](C)[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)O[C@@H]2OC[C@@H]([C@@H]([C@@H]2O)O)O)O)[C@@H]1O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous 1900ug/kg (1.9mg/kg)   Farmatsiya Vol. 33(6), Pg. 55, 1984.