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BbGL-1

CAT: 0931-TYD-04304-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-04304-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
600177-67-1
Target
Others
Related Pathways
Others
Bioactivity
BbGL-1 is a glycosylated sterol lipid that includes a saturated acyl chain.
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](O[C@@H]5O[C@H](COC(CCCCCCCCCCCCCCC)=O)[C@H](O)[C@H](O)[C@H]5O)CC2)[H])[H]
Molecular Formula
C49H86O7
Molecular Weight
787.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ACGal C16

Cholesteryl 6-O-palmitoyl-beta-D-galactoside is a cholesteryl 6-O-acyl-beta-D-galactoside having palmitoyl (hexadecanoyl) as the 6-O-acyl group.

CAS Number600177-67-1
PubChem CID11388683
IUPAC Name[(2R,3R,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
Molecular FormulaC49H86O7
Molecular Weight787.2
XLogP14.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count24
Heavy Atom Count56
Formal Charge0
Complexity1200
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CCCC(C)C)C)C)O)O)O
InChI
InChI=1S/C49H86O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-43(50)54-33-42-44(51)45(52)46(53)47(56-42)55-37-28-30-48(5)36(32-37)24-25-38-40-27-26-39(35(4)22-20-21-34(2)3)49(40,6)31-29-41(38)48/h24,34-35,37-42,44-47,51-53H,7-23,25-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,42-,44+,45+,46-,47-,48+,49-/m1/s1
InChIKey
YPMUZVRAVKLKGC-HJFSTSJRSA-N
Chemical Structure
2D Structure
2D structure of ACGal C16
CAS: 600177-67-1
CID: 11388683
Formula: C49H86O7
MW: 787.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight787.2
XLogP314.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count24
Exact Mass786.63735508
Monoisotopic Mass786.63735508
Topological Polar Surface Area105 Ų
Heavy Atom Count56
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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