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Substance Name: Agavoside B
RN: 56857-66-0
InChIKey: YEKZYRCPUZIPAI-IEBUPIFISA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H62-O14

Molecular Weight

  • 754.9048
 
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Names and Synonyms

Results Name

  • Agavoside B

Synonym

  • Agavoside B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56857-66-0

Other Registry Number

  • 75216-37-4

System Generated Number

  • 0056857660

Structure Descriptors

InChI

1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38-,39?/m1/s1

InChIKey

YEKZYRCPUZIPAI-IEBUPIFISA-N

Smiles

C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 40mg/kg (40mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.