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Epimedokoreanoside II

CAT: 0931-T126069-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T126069-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130756-12-6
Target
Others
Related Pathways
Others
Bioactivity
Epimedokoreanoside II is a useful organic compound for research related to life sciences. The catalog number is T126069 and the CAS number is 130756-12-6.
Smiles
COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Molecular Formula
C35H42O16
Molecular Weight
718.705
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Epimedokoreanoside II
CAS Number130756-12-6
PubChem CID44259071
IUPAC Name[(3S,5S,6S)-6-[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate
Molecular FormulaC35H42O16
Molecular Weight718.7
XLogP2.4
Topological Polar Surface Area240
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count51
Formal Charge0
Complexity1280
SMILES
CC1[C@@H](C([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]5C([C@H]([C@@H](C(O5)CO)O)O)O)OC(=O)C
InChI
InChI=1S/C35H42O16/c1-14(2)6-11-19-20(38)12-21(39)23-25(41)32(30(49-31(19)23)17-7-9-18(45-5)10-8-17)50-35-28(44)33(29(15(3)46-35)47-16(4)37)51-34-27(43)26(42)24(40)22(13-36)48-34/h6-10,12,15,22,24,26-29,33-36,38-40,42-44H,11,13H2,1-5H3/t15?,22?,24-,26+,27?,28+,29+,33?,34+,35+/m1/s1
InChIKey
UYALDZZEAZIEME-GBPKPTSISA-N
Chemical Structure
2D Structure
2D structure of Epimedokoreanoside II
CAS: 130756-12-6
CID: 44259071
Formula: C35H42O16
MW: 718.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight718.7
XLogP32.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass718.24728525
Monoisotopic Mass718.24728525
Topological Polar Surface Area240 Ų
Heavy Atom Count51
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5791525Epimedokoreanoside II
MBS5791526Epimedokoreanoside I

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