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Substance Name: Agavasaponin C'
RN: 56316-35-9
InChIKey: VGWBUQPQZOSEEG-NNHMZJIGSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C45-H72-O19

Molecular Weight

  • 917.0448
 
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Names and Synonyms

Results Name

  • Agavasaponin C'

Synonyms

  • Agavasaponin C'
  • Agavoside C'

Systematic Name

  • Spirostan-12-one, 3-((O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-

Registry Numbers

CAS Registry Number

  • 56316-35-9

Other Registry Number

  • 75215-94-0

System Generated Number

  • 0056316359

Structure Descriptors

InChI

1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-42-39(63-41-37(56)35(54)32(51)27(15-47)60-41)38(33(52)28(16-48)61-42)62-40-36(55)34(53)31(50)26(14-46)59-40/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18?,19-,20-,21-,22+,23-,24-,25-,26+,27+,28+,30-,31+,32+,33-,34-,35-,36+,37+,38-,39+,40-,41-,42+,43-,44+,45?/m0/s1

InChIKey

VGWBUQPQZOSEEG-NNHMZJIGSA-N

Smiles

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)OC19CCC(CO9)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 10mg/kg (10mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.