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Gingerglycolipid B

CAT: 0013-GTR19230046-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230046-02Size:2 mg
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Description
Gingerglycolipid B (CAS 88168-90-5) is a bioactive natural product used in life science research. It serves as a valuable tool for studying anti-inflammatory and antitumor mechanisms in both in vitro cellular assays and in vivo experimental models.
CAS Number
88168-90-5
Smiles
CCCCC\C=C/C\C=C/CCCCCCCC (=O) OC[C@@H] (O) CO[C@@H]1O[C@H] (CO[C@H]2O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]2O) [C@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C33H58O14
Molecular Weight
678.813
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gingerglycolipid B

Gingerglycolipid B is a galactosylglycerol derivative.

CAS Number88168-90-5
PubChem CID10009754
IUPAC Name[(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular FormulaC33H58O14
Molecular Weight678.8
XLogP1.9
Topological Polar Surface Area225
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count24
Heavy Atom Count47
Formal Charge0
Complexity887
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C33H58O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h6-7,9-10,22-24,26-35,37-42H,2-5,8,11-21H2,1H3/b7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
InChIKey
UHISGSDYAIIBMO-UMLSMIIMSA-N
Chemical Structure
2D Structure
2D structure of Gingerglycolipid B
CAS: 88168-90-5
CID: 10009754
Formula: C33H58O14
MW: 678.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight678.8
XLogP31.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count24
Exact Mass678.38265652
Monoisotopic Mass678.38265652
Topological Polar Surface Area225 Ų
Heavy Atom Count47
Formal Charge0
Complexity887
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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