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Substance Name: Yuccoside C
RN: 55826-88-5
InChIKey: JNTJNUDLVQQYGM-FTILQGHWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C45-H74-O18

Molecular Weight

  • 903.0616
 
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Names and Synonyms

Results Name

  • Yuccoside C

Synonym

  • Yuccoside C

Systematic Names

  • beta-D-Glucopyranoside, (3-beta,5-beta,25S)-spirostan-3-yl O-alpha-D-galactopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-
  • beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-yl O-alpha-D-galactopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 55826-88-5

System Generated Number

  • 0055826885

Structure Descriptors

InChI

1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45-/m1/s1

InChIKey

JNTJNUDLVQQYGM-FTILQGHWSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[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[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)C)C)C)OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 20mg/kg (20mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.