Sitoindoside IX
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Sitoindoside IX
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CAS No:
118853-45-5
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Formula:
C34H48O11
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Chemical Name:
Sitoindoside IX
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Synonyms:
Ergosta-2,24-dien-26-oic acid,5,6-epoxy-27-(β-D-glucopyranosyloxy)-4,22-dihydroxy-1-oxo-,δ-lactone,(4β,5β,6β,22R)-;Sitoindoside IX;27-O-Glucopyranosylwithaferin
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CAS No:
Description
Sitoindoside IX is a withanolide saponin that consists of withaferin A attached to a beta-D-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a withanolide saponin, a delta-lactone, a 4-hydroxy steroid, an enone, an ergostanoid, a secondary alcohol, a beta-D-glucoside, a monosaccharide derivative and an epoxy steroid. It derives from a withaferin A.
Computed Properties
Molecular Weight:632.7
XLogP3:1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:632.31966234
Monoisotopic Mass:632.31966234
Topological Polar Surface Area:176
Heavy Atom Count:45
Complexity:1300
Defined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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