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Substance Name: Agavoside E
RN: 58546-19-3
InChIKey: LFLNXTMOXMFOAL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C62-H100-O31

Molecular Weight

  • 1341.441
 
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Names and Synonyms

Results Name

  • Agavoside E

Synonyms

  • Agavasaponin E
  • Agavoside E
  • BRN 5231944

Systematic Name

  • Spirostan-12-one, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-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

  • 58546-19-3

Other Registry Number

  • 75216-33-0

System Generated Number

  • 0058546193

Structure Descriptors

InChI

1S/C62H100O31/c1-21-9-12-62(81-19-21)22(2)36-31(93-62)14-29-27-8-7-25-13-26(10-11-60(25,5)28(27)15-35(67)61(29,36)6)84-56-46(77)42(73)49(33(17-64)86-56)88-57-47(78)43(74)50(34(18-65)87-57)89-59-53(52(40(71)32(16-63)85-59)91-54-44(75)39(70)30(66)20-80-54)92-58-48(79)51(38(69)24(4)83-58)90-55-45(76)41(72)37(68)23(3)82-55/h21-34,36-59,63-66,68-79H,7-20H2,1-6H3

InChIKey

LFLNXTMOXMFOAL-UHFFFAOYSA-N

Smiles

CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(CO2)O)O)O)OC2C(C(C(C(O2)C)O)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)O)C)C)C)OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 6mg/kg (6mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.