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Clovin

CAT: 0013-GTR19183821Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183821Size:5 mg
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Description
Clovin is a naturally occurring small molecule compound. It is utilized in biochemical research for in vitro enzyme inhibition assays and has been investigated in cellular models for studying metabolic pathways.
CAS Number
81970-00-5
Smiles
O (C1=C (OC=2C (C1=O) =C (O) C=C (O[C@H]3[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O3) C2) C4=CC (O) =C (O) C=C4) [C@@H]5O[C@H] (CO[C@H]6[C@H] (O) [C@H] (O) [C@@H] (O) [C@H] (C) O6) [C@H] (O) [C@H] (O) [C@H]5O
Molecular Formula
C33H40O20
Molecular Weight
756.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

Clovin is a glycoside and a member of flavonoids.

CAS Number81970-00-5
PubChem CID5488716
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC33H40O20
Molecular Weight756.7
XLogP-2.6
Topological Polar Surface Area324
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count8
Heavy Atom Count53
Formal Charge0
Complexity1300
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O
InChI
InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1
InChIKey
BFCXCFJUDBNEMU-QPIZCGMOSA-N
Chemical Structure
2D Structure
2D structure of 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
CAS: 81970-00-5
CID: 5488716
Formula: C33H40O20
MW: 756.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight756.7
XLogP3-2.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count20
Rotatable Bond Count8
Exact Mass756.21129366
Monoisotopic Mass756.21129366
Topological Polar Surface Area324 Ų
Heavy Atom Count53
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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