Sitoindoside I
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Sitoindoside I
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CAS No:
18749-71-8
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Formula:
C51H90O7
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Chemical Name:
Sitoindoside I
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Synonyms:
β-D-Glucopyranoside,(3β)-stigmast-5-en-3-yl,6-hexadecanoate;Stigmast-5-en-3β-ol,β-D-glucopyranoside,6′-palmitate;Palmitic acid,ester with β-sitosterol glucoside;Stigmastane,β-D-glucopyranoside deriv.;β-Sitosteryl-β-D-glucoside-6-monopalmitate;β-Sitosteryl β-D-glucoside monopalmitate;Sitoindoside I;6′-O-Palmitoyl-β-sitosterol-3-O-β-glucopyranoside;6′-O-Palmitoylsitosterol-3-O-β-D-glucoside;Sitosteryl (6′-O-palmitoyl)-3β-D-glucopyranoside;Sitoindoside;Longiside B;Stigmast-5-en-3-β-6′-palmitoylglucopyranoside;Daucosterol 6′-O-palmitate;Sitosterol 3β-O-[6′-palmitoyl-β-D-glucopyranoside];β-Sitosterol glucoside 6′-O-monopalmitate;Stigmast-5-en-3β-O-(6-O-hexadecanoyl-β-D-glucopyranoside);3-O-(6′-O-Palmitoyl-β-D-glucosyl)-β-sitosterol;(-)-β-Sitosterol 3-O-β-D-(6-O-palmitoyl)glucopyranoside;16:0-Glc-sitosterol;β-Sitosteryl 3β-glucopyranoside 6-O palmitate;β-Sitosterol-3-O-α-L-(6′-O-hexadecanoyl) glucoside;2172974-57-9
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CAS No:
Description
Sitoindoside I is a steroid saponin that is sitosterol attached to a 6-O-hexadecanoyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from Breynia fruticosa. It has a role as a plant metabolite. It is a fatty acid ester, a steroid saponin, a beta-D-glucoside and a monosaccharide derivative. It derives from a hexadecanoic acid and a sitosterol. It derives from a hydride of a stigmastane.
Computed Properties
Molecular Weight:815.3
XLogP3:15.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:25
Exact Mass:814.66865521
Monoisotopic Mass:814.66865521
Topological Polar Surface Area:105
Heavy Atom Count:58
Complexity:1250
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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