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Seguinoside F

CAT: 0013-GTR19228735-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228735-01Size:1 mg
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Description
Seguinoside F (CAS 220778-37-0) is a research compound used in life science studies. It serves as a biochemical tool for in vitro investigations into cellular mechanisms and has been referenced in studies exploring natural product bioactivity.
CAS Number
220778-37-0
Smiles
COc1cc (cc (OC) c1O) C (=O) OC[C@@]1 (O) CO[C@@H] (O[C@@H]2[C@@H] (O) [C@H] (O) [C@@H] (CO) O[C@H]2Oc2ccc (O) cc2) [C@@H]1O
Molecular Formula
C26H32O15
Molecular Weight
584.527
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Seguinoside F

Seguinoside F has been reported in Myrsine seguinii with data available.

CAS Number220778-37-0
PubChem CID45360160
IUPAC Name[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
Molecular FormulaC26H32O15
Molecular Weight584.5
XLogP-0.5
Topological Polar Surface Area223
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity826
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OC[C@]2(CO[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=CC=C(C=C4)O)CO)O)O)O
InChI
InChI=1S/C26H32O15/c1-35-15-7-12(8-16(36-2)18(15)29)23(33)37-10-26(34)11-38-25(22(26)32)41-21-20(31)19(30)17(9-27)40-24(21)39-14-5-3-13(28)4-6-14/h3-8,17,19-22,24-25,27-32,34H,9-11H2,1-2H3/t17-,19-,20+,21-,22+,24-,25+,26-/m1/s1
InChIKey
HZFQJXUVAZJXLJ-BBJWLDLUSA-N
Chemical Structure
2D Structure
2D structure of Seguinoside F
CAS: 220778-37-0
CID: 45360160
Formula: C26H32O15
MW: 584.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.5
XLogP3-0.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass584.17412031
Monoisotopic Mass584.17412031
Topological Polar Surface Area223 Ų
Heavy Atom Count41
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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