Sapinmusaponin Q
Grundinformationen
- Standard-SMILES
CO[C@@H]1O[C@H](C=C(C)C)C[C@H]1[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
SPDAIFHPZCHBGZ-FZFQDVCZSA-N- Summenformel
- C43H70O13
- Durchschnittliche Molmasse
- 795 g/mol
- Monoisotopische Masse
- 794,4816423
Überblick
Sapinmusaponin Q is a triterpenoid saponin isolated from Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation. It has a role as a platelet aggregation inhibitor and a plant metabolite. It is a member of oxolanes, a triterpenoid saponin, a disaccharide derivative and a tirucallane triterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- Sapinmusaponin Q
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,9R,10R,13S,14S,17R)-17-[(2R,3S,5S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Namen und Synonyme
Sapinmusaponin QCHEBI:66169(3beta,13alpha,14beta,20S,21R,23S)-21-methoxy-21,23-epoxylanosta-7,24-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosideRefChem:181228(2S,3R,4S,5S,6R)-2-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((3S,5R,9R,10R,13S,14S,17R)-17-((2R,3S,5S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)oxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol957471-79-321alpha-methoxy-3beta,21(R),23(S)-epoxytirucall-7,24-diene-3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosideQ27134697
Datenbank-Bezeichner
- ChEBI
CHEBI:66169
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 197 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 56
- Formalladung
- 0
- Komplexität
- 1.470
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