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Iso-sagittatoside A

CAT: 1410-M31952-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Iso-sagittatoside A is a natural product for research related to life sciences.
CAS Number
503456-08-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
676.7
Molecular Formula
C33H40O15
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Iso-sagittatoside A
CAS Number503456-08-4
PubChem CID145874210
IUPAC Name3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular FormulaC33H40O15
Molecular Weight676.7
XLogP1.9
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count48
Formal Charge0
Complexity1170
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI
InChI=1S/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)31(28(46-29(17)21)15-6-8-16(43-4)9-7-15)48-33-27(42)30(22(37)14(3)44-33)47-32-26(41)25(40)23(38)20(12-34)45-32/h5-9,11,14,20,22-23,25-27,30,32-38,40-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25-,26+,27+,30+,32-,33-/m0/s1
InChIKey
BFONPGKUUVPTLZ-NAYGPKAFSA-N
Chemical Structure
2D Structure
2D structure of Iso-sagittatoside A
CAS: 503456-08-4
CID: 145874210
Formula: C33H40O15
MW: 676.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight676.7
XLogP31.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass676.23672056
Monoisotopic Mass676.23672056
Topological Polar Surface Area234 Ų
Heavy Atom Count48
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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