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26-degluco-torvoside H

CAT: 0013-GTR19242889-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242889-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
26-DeGluco-Torvoside H is a natural product glycoside used in life science research. It serves as a biochemical tool for in vitro studies, particularly in the investigation of plant-derived secondary metabolites and their potential biological activities.
CAS Number
437988-00-6
Smiles
C[C@@H]1[C@]2 (O[C@@]3 ([C@]1 ([C@]4 (C) [C@@] (C3) ([C@]5 ([C@] (CC4) ([C@]6 (C) [C@@] ([C@@H] (O[C@H]7[C@H] (O) [C@@H] (O[C@H]8[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O8) [C@H] (O) [C@@H] (C) O7) C5) (CC (=O) CC6) [H]) [H]) [H]) [H]) [H]) [H]) CC[C@H] (C) CO2
Molecular Formula
C39H62O12
Molecular Weight
722.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,18S,19S)-19-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
CAS Number437988-00-6
PubChem CID102393306
IUPAC Name(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,18S,19S)-19-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
Molecular FormulaC39H62O12
Molecular Weight722.9
XLogP2.5
Topological Polar Surface Area174
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count51
Formal Charge0
Complexity1320
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]4C[C@@H]([C@@H]6[C@@]5(CCC(=O)C6)C)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]([C@@H](O8)C)O)O)O)O)C)C)OC1
InChI
InChI=1S/C39H62O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-20,22-36,41-45H,7-16H2,1-6H3/t17-,18-,19-,20+,22+,23-,24-,25+,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+/m0/s1
InChIKey
KGKPTIMFGJTAMD-DCHFBTILSA-N
Chemical Structure
2D Structure
2D structure of (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,18S,19S)-19-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
CAS: 437988-00-6
CID: 102393306
Formula: C39H62O12
MW: 722.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight722.9
XLogP32.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass722.42412741
Monoisotopic Mass722.42412741
Topological Polar Surface Area174 Ų
Heavy Atom Count51
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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