Hamiltonioside II; methyl ester 11(S)-hydroxyhex-adecanoate 11-O-beta-D-glucopyranosyl-(1->3)-O-[alpha-L-rhamnopyranosyl-(1->4)-O-(2-O-n-decanoyl)-alpha-L-rhamnopyranosyl-(1->4)-O-alpha-L-rhamnopyranosyl-(1->2)-bet-D-fucopyranoside

ID: ALA5169489

Chembl Id: CHEMBL5169489

PubChem CID: 168269341

Max Phase: Preclinical

Molecular Formula: C57H102O25

Molecular Weight: 1187.42

Names and Identifiers

Canonical SMILES:  CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)OC)O[C@H](C)[C@H](O)[C@@H]3O)O[C@H]2C)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Standard InChI:  InChI=1S/C57H102O25/c1-8-10-12-13-15-20-24-28-37(60)78-52-51(82-55-46(69)42(65)40(63)35(29-58)77-55)49(80-53-45(68)41(64)38(61)30(3)72-53)33(6)75-57(52)79-48-32(5)74-54(47(70)44(48)67)81-50-43(66)39(62)31(4)73-56(50)76-34(25-21-11-9-2)26-22-18-16-14-17-19-23-27-36(59)71-7/h30-35,38-58,61-70H,8-29H2,1-7H3/t30-,31+,32-,33-,34-,35+,38-,39-,40+,41+,42-,43-,44-,45+,46+,47+,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-/m0/s1

Standard InChI Key:  BHYOSBSMSAGMCM-NXAJLYNLSA-N

Alternative Forms

1. Parent:

   

   ALA5169489

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1187.42

Molecular Weight (Monoisotopic): 1186.6710

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References

1. Moreno-Velasco A, Flores-Tafoya PJ, Fragoso-Serrano M, Leitão SG, Pereda-Miranda R..  (2022)  Resin Glycosides from Operculina hamiltonii and Their Synergism with Vinblastine in Cancer Cells.,  85  (10.0): [PMID:36162138] [10.1021/acs.jnatprod.2c00594]

Source

Source(1):

• Scientific Literature