(1alpha,3beta,22R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,22-dihydroxyergosta-5,24-dien-26-oic acid delta-lactone
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![(1alpha,3beta,22R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,22-dihydroxyergosta-5,24-dien-26-oic acid delta-lactone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b62ec70d85b04f4ca69c3d20deae660a.png "(1alpha,3beta,22R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,22-dihydroxyergosta-5,24-dien-26-oic acid delta-lactone")
(1alpha,3beta,22R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,22-dihydroxyergosta-5,24-dien-26-oic acid delta-lactone
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CAS No:
256520-90-8
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Formula:
C40H62O14
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Chemical Name:
(1alpha,3beta,22R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,22-dihydroxyergosta-5,24-dien-26-oic acid delta-lactone
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Synonyms:
(1alpha,3beta,22R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,22-dihydroxyergosta-5,24-dien-26-oic acid delta-lactone;Withanoside V;WITHANOSIDE V(SH);(1α,3β,22R)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-1,22-dihydroxy-ergosta-5,24-dien-26-oic acid δ-lactone
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CAS No:
(1alpha,3beta,22R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,22-dihydroxyergosta-5,24-dien-26-oic acid delta-lactone Basic Attributes
766.91188
766.414
EKV8XP7MQ6
DTXSID20443612
Drug Information
(1alpha,3beta,22R)-1-Hydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Computed Properties
Molecular Weight:766.9
XLogP3:1.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:766.41395665
Monoisotopic Mass:766.41395665
Topological Polar Surface Area:225
Heavy Atom Count:54
Complexity:1450
Defined Atom Stereocenter Count:20
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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