Batatinoside VI

ID: ALA5192432

Chembl Id: CHEMBL5192432

PubChem CID: 163017141

Max Phase: Preclinical

Molecular Formula: C56H98O24

Molecular Weight: 1155.38

Names and Identifiers

Canonical SMILES:  CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@H](O[C@H]2C)[C@@H]3O)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/C56H98O24/c1-7-9-11-12-14-18-23-27-36(59)76-51-50(80-53-44(67)41(64)39(62)34(28-57)74-53)47(77-52-43(66)40(63)37(60)29(3)69-52)32(6)72-56(51)78-46-31(5)71-54-45(68)48(46)75-35(58)26-22-19-16-13-15-17-21-25-33(24-20-10-8-2)73-55-49(79-54)42(65)38(61)30(4)70-55/h29-34,37-57,60-68H,7-28H2,1-6H3/t29-,30+,31-,32-,33-,34+,37-,38-,39+,40+,41-,42-,43+,44+,45+,46-,47-,48-,49+,50+,51+,52-,53-,54-,55-,56-/m0/s1

Standard InChI Key:  JLKCPGJWDKPCPJ-SNTDMGACSA-N

Alternative Forms

1. Parent:

   

   ALA5192432

   ---

Molecule Features

Natural Product: Yes

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: 1155.38

Molecular Weight (Monoisotopic): 1154.6448

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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