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Colchicoside

CAT: 0926-MC16661-03Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-MC16661-03Size:0.25 g
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CAS Number
477-29-2
Synonyms
3-Demethylcolchicine glucoside
Smiles
CC (=O) N[C@H]1CCC2=CC (=C (C (=C2C3=CC=C (C (=O) C=C13) OC) OC) OC) O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) O
Molecular Formula
C27H33NO11
Molecular Weight
547.55 g/mol
Controlled
No

Chemical Information

Colchicoside

Colchicoside is a member of acetamides, an alkaloid and a carbotricyclic compound.

CAS Number477-29-2
PubChem CID92763
IUPAC NameN-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Molecular FormulaC27H33NO11
Molecular Weight547.5
XLogP-1.1
Topological Polar Surface Area173
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1010
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1
InChIKey
UXAFRQPVHYZDED-ZZEDUEFDSA-N
Chemical Structure
2D Structure
2D structure of Colchicoside
CAS: 477-29-2
CID: 92763
Formula: C27H33NO11
MW: 547.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.5
XLogP3-1.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass547.20536087
Monoisotopic Mass547.20536087
Topological Polar Surface Area173 Ų
Heavy Atom Count39
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5797317Colchicoside
CS-T-103384Colchicoside-d3
451807-01Hexa-O-benzoyl 10-Demethyl Colchicoside
462159-01Penta-O-benzoyl 10-Demethyl Colchicoside
AR-C03457-01Thiocolchicoside EP Impurity H (10-Demethoxy Colchicoside)
021740Thiocolchicoside (BRN 0072205, NSC 147755, Coltramyl, 10-thio-Colchicoside, 2-Demethoxy-2-glucosidoxythiocolchicine)

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