Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Agavoside I
RN: 58572-17-1
InChIKey: CBAAURVXZXOKCC-LKICMATPSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Weight

  • 1667.7368
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Agavoside I

Registry Numbers

CAS Registry Number

  • 58572-17-1

System Generated Number

  • 0058572171

Structure Descriptors

InChI

1S/C74H122O41/c1-23(21-99-64-52(92)48(88)44(84)35(17-75)105-64)10-13-74(98)24(2)40-34(115-74)15-32-30-9-8-28-14-29(11-12-72(28,6)31(30)16-39(80)73(32,40)7)104-68-55(95)49(89)59(37(19-77)107-68)110-69-56(96)50(90)60(38(20-78)108-69)111-71-63(114-65-51(91)43(83)33(79)22-100-65)61(45(85)36(18-76)106-71)112-70-62(113-67-54(94)47(87)42(82)26(4)102-67)57(97)58(27(5)103-70)109-66-53(93)46(86)41(81)25(3)101-66/h23-38,40-71,75-79,81-98H,8-22H2,1-7H3/t23-,24+,25-,26-,27-,28+,29+,30?,31?,32?,33-,34?,35-,36-,37-,38-,40?,41-,42-,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53+,54+,55-,56-,57+,58-,59+,60-,61+,62+,63-,64-,65+,66-,67-,68-,69+,70-,71+,72+,73-,74-/m1/s1

InChIKey

CBAAURVXZXOKCC-LKICMATPSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)O)O)O[C@H]4[C@@H]([C@H](O[C@H]([C@@H]4O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@H]8CC[C@]9([C@H](C8)CCC1C9CC(=O)[C@]2(C1CC1C2[C@@H]([C@](O1)(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)CO)CO)CO)O)C)O)O)O

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.