ashwagandha extract Report issue

Botanical Experimental
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Chemistry

Mol. Mass

470.61

ALogP

3.35

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
  • InChIKey: DBRXOUCRJQVYJQ-BZMBVROXSA-N
    InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21-,23-,24+,26+,27-,28+/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1221986   ChEMBL
withaferin a

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