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Clovin

CAT: 0931-TN1514Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1514Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81970-00-5
Target
Others
Related Pathways
Others
Bioactivity
Clovin is a natural product
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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