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Ophiopogonoside A

CAT: 0013-GTR19183730Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183730Size:2 mg
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Description
Ophiopogonoside A (CAS 791849-22-4) is a natural compound derived from Ophiopogon plants. It serves as a reference standard for research, with studies investigating its potential anti-inflammatory and cardioprotective activities in both in vitro and in vivo models.
CAS Number
791849-22-4
Smiles
O ([C@H]1[C@]2 ([C@@] (C) (CC[C@H]1[C@H] (C) C) [C@H] (O) CC[C@]2 (C) O) [H]) [C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O
Molecular Formula
C21H38O8
Molecular Weight
418.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ophiopogonoside A

Ophiopogonoside A has been reported in Liriope muscari and Ophiopogon japonicus with data available.

CAS Number791849-22-4
PubChem CID21589806
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,5R,8S,8aR)-5,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC21H38O8
Molecular Weight418.5
XLogP0.4
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
CC(C)[C@@H]1CC[C@]2([C@@H](CC[C@]([C@H]2[C@@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C)O)O)C
InChI
InChI=1S/C21H38O8/c1-10(2)11-5-7-20(3)13(23)6-8-21(4,27)18(20)17(11)29-19-16(26)15(25)14(24)12(9-22)28-19/h10-19,22-27H,5-9H2,1-4H3/t11-,12+,13+,14+,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKey
DQRUOTCFENUXKV-YQVANZONSA-N
Chemical Structure
2D Structure
2D structure of Ophiopogonoside A
CAS: 791849-22-4
CID: 21589806
Formula: C21H38O8
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP30.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass418.25666817
Monoisotopic Mass418.25666817
Topological Polar Surface Area140 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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