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Substance Name: Yuccoside B
RN: 41679-10-1
InChIKey: GUSVHVVOABZHAH-UQQKPTLXSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H64-O13

Molecular Weight

  • 740.9216
 
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Names and Synonyms

Results Name

  • Yuccoside B

Synonyms

  • (3-beta,5-alpha,25R)-Spirostan-3-yl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
  • Yuccoside B

Systematic Name

  • beta-D-Glucopyranoside, (3-beta,5-alpha,25R)-spirostan-3-yl 4-O-beta-D-galactopyranosyl-

Registry Numbers

CAS Registry Number

  • 41679-10-1

System Generated Number

  • 0041679101

Structure Descriptors

InChI

1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3/t18?,19-,20?,21?,22?,23?,24?,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,35+,36-,37-,38-,39?/m0/s1

InChIKey

GUSVHVVOABZHAH-UQQKPTLXSA-N

Smiles

C[C@H]1[C@H]2[C@H](CC3[C@@]2(CCC4C3CCC5[C@@]4(CCC(C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)C)C)OC18CCC(CO8)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 15mg/kg (15mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.