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OJV-VI

CAT: 0013-GTR19165159-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165159-02Size:1 mg
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Description
OJV-VI is a natural small molecule compound isolated from Ophiopogon japonicus. It is utilized in research for its potential bioactivities, with studies exploring its effects in both in vitro assays and in vivo experimental models.
CAS Number
125150-67-6
Purity
98.00% (May vary between batches)
Smiles
C[C@@]12[C@@]3 ([C@] (C[C@]1 ([C@]4 ([C@] (CC2) ([C@@]5 (C) [C@H] (O[C@H]6[C@H] (O[C@H]7[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O7) [C@@H] (O[C@H]8[C@H] (O) [C@@H] (O) [C@H] (O) CO8) [C@@H] (O) [C@@H] (C) O6) C[C@H] (O) CC5=CC4) [H]) [H]) [H]) (O[C@@]9 ([C@H]3C) CC[C@H] (C) CO9) [H]) [H]
Molecular Formula
C44H70O16
Molecular Weight
855.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ophiopogonin D'

Ophiopogonin D is a steroid saponin.

CAS Number125150-67-6
PubChem CID46173859
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC44H70O16
Molecular Weight855.0
XLogP1
Topological Polar Surface Area236
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count6
Heavy Atom Count60
Formal Charge0
Complexity1590
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1
InChI
InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-/m1/s1
InChIKey
FHKHGNFKBPFJCB-LYLKFOBISA-N
Chemical Structure
2D Structure
2D structure of Ophiopogonin D'
CAS: 125150-67-6
CID: 46173859
Formula: C44H70O16
MW: 855.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.0
XLogP31
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count6
Exact Mass854.46638614
Monoisotopic Mass854.46638614
Topological Polar Surface Area236 Ų
Heavy Atom Count60
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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