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2'-Rhamnoechinacoside

CAT: 0013-GTR19233237Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233237Size:10 mg
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Description
2'-Rhamnoechinacoside is a natural small molecule compound isolated from Cistanche tubulosa. It is utilized in research for its potential neuroprotective and anti-aging properties, as investigated in both in vitro and in vivo experimental models.
CAS Number
1422390-59-7
Field of Research
Metabolism Research
Smiles
O ([C@@H]1[C@@H] (O[C@H]2[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O2) [C@H] (OCCC3=CC (O) =C (O) C=C3) O[C@H] (CO[C@@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O) [C@H]1OC (/C=C/C5=CC (O) =C (O) C=C5) =O) [C@H]6[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O6
Molecular Formula
C41H56O24
Molecular Weight
932.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2'-Rhamnoechinacoside
CAS Number1422390-59-7
PubChem CID122232761
IUPAC Name[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC41H56O24
Molecular Weight932.9
XLogP-3.2
Topological Polar Surface Area383
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Heavy Atom Count65
Formal Charge0
Complexity1510
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)OCCC4=CC(=C(C=C4)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)O)O)O
InChI
InChI=1S/C41H56O24/c1-15-26(48)29(51)33(55)39(59-15)64-36-35(63-25(47)8-5-17-3-6-19(43)21(45)11-17)24(14-58-38-32(54)31(53)28(50)23(13-42)61-38)62-41(57-10-9-18-4-7-20(44)22(46)12-18)37(36)65-40-34(56)30(52)27(49)16(2)60-40/h3-8,11-12,15-16,23-24,26-46,48-56H,9-10,13-14H2,1-2H3/b8-5+/t15-,16-,23+,24+,26-,27-,28+,29+,30+,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+/m0/s1
InChIKey
AVKLXIXCISVOEG-BFOZOFGGSA-N
Chemical Structure
2D Structure
2D structure of 2'-Rhamnoechinacoside
CAS: 1422390-59-7
CID: 122232761
Formula: C41H56O24
MW: 932.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight932.9
XLogP3-3.2
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Exact Mass932.31615265
Monoisotopic Mass932.31615265
Topological Polar Surface Area383 Ų
Heavy Atom Count65
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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