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Perisesaccharide B

CAT: 0013-GTR19260384-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260384-02Size:50 mg
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Description
Perisesaccharide B is a natural product
CAS Number
1095261-93-0
Purity
>98% (HPLC)
Molecular Formula
C36H60O18
Molecular Weight
780.85
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Perisesaccharide B

Perisesaccharide B has been reported in Periploca sepium with data available.

CAS Number1095261-93-0
PubChem CID25149302
IUPAC Name[(2S,3R,4S,5S,6R)-5-hydroxy-2-[(2R,3R,4S,6S)-6-[(2R,3S,4R,6S)-4-hydroxy-6-[(2R,3R,4S,6S)-4-methoxy-6-[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxan-3-yl] acetate
Molecular FormulaC36H60O18
Molecular Weight780.8
XLogP0.3
Topological Polar Surface Area204
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count14
Heavy Atom Count54
Formal Charge0
Complexity1210
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@H]3O)O[C@@H]4[C@H](O[C@H](C[C@@H]4OC)O[C@@H]5[C@H](OC(=O)C[C@H]5OC)C)C)C)C)OC(=O)C)OC)O
InChI
InChI=1S/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-27(14-24(33)43-9)51-30-16(2)46-26(11-21(30)38)52-32-18(4)47-28(13-23(32)42-8)53-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17-,18-,19-,21-,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m1/s1
InChIKey
FIUKBOHZSAVHEV-UQWSCNRSSA-N
Chemical Structure
2D Structure
2D structure of Perisesaccharide B
CAS: 1095261-93-0
CID: 25149302
Formula: C36H60O18
MW: 780.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight780.8
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count14
Exact Mass780.37796506
Monoisotopic Mass780.37796506
Topological Polar Surface Area204 Ų
Heavy Atom Count54
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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TN2056-01Perisesaccharide B
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TBW01028Acetyl Perisesaccharide C

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