Colchicoside
PubChem CID: 92763
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| Compound Synonyms | Colchicoside, 477-29-2, 3-Demethylcolchicine glucoside, EINECS 207-513-0, NSC 32992, NSC 624672, BRN 0072204, DYD0I854K7, UNII-DYD0I854K7, EC 207-513-0, DTXSID301010233, NSC-32992, NSC-624672, N-[(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, ACETAMIDE, N-((7S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-, ACETAMIDE, N-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-, (S)-, N-((7S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)ACETAMIDE, N-((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, N-[(7S,12aRa)-3-(beta-D-Glucopyranosyloxy)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, Colchicine Imp. D (EP), Colchicoside, Colchicine Impurity D, Thiocolchicoside Impurity D, SCHEMBL13673737, CHEBI:81415, DTXCID001436642, N-[(7S,12aRa)-3-(beta-D-Glucopyranosyloxy)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide (Colchicoside), AKOS040755056, AT23954, MC16661, Acetamide, N-(3-(beta-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-, BS-42418, COLCHICINE IMPURITY D [EP IMPURITY], Colchicoside 100 microg/mL in Acetonitrile, HY-131300, CS-0132732, C17963, Q11740975, 1329-53-9, 207-513-0, ACETAMIDE, N-((7S)-3-(BETA-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-, N-((7S)-3-(BETA-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)ACETAMIDE, N-[(10S)-3,4,14-trimethoxy-13-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.5.0.0(2),?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]acetamide |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 173.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2C(CCCC3CC(CC4CCCCC4)CCC32)C1 |
| Np Classifier Class | Phenethylisoquinoline alkaloids |
| Deep Smiles | OC[C@H]O[C@@H]OcccCC[C@@H]cc-c7cc%11OC)))OC))))cccc=O)c7))OC)))))))NC=O)C))))))))))[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 39.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCC2C(CCCC3CC(OC4CCCCO4)CCC32)C1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | N-[(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 |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C27H33NO11 |
| Scaffold Graph Node Bond Level | O=c1cccc2c(c1)CCCc1cc(OC3CCCCO3)ccc1-2 |
| Inchi Key | UXAFRQPVHYZDED-ZZEDUEFDSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 3-demethylcolchicine glucoside, colchicoside |
| Esol Class | Soluble |
| Functional Groups | CC(=O)NC, CO, c=O, cOC, cO[C@@H](C)OC |
| Compound Name | Colchicoside |
| Exact Mass | 547.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 547.205 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 547.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| 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 |
| 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 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Gloriosa Superba (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/9928082