Ammiol glucoside
PubChem CID: 14377805
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ammiol glucoside, L7QP4Q03Y2, UNII-L7QP4Q03Y2, 123715-08-2, 5H-Furo(3,2-g)(1)benzopyran-5-one, 7-((beta-D-glucopyranosyloxy)methyl)-4,9-dimethoxy-, MEGxp0_000327, ACon1_000805, NCGC00169342-01, BRD-K59845271-001-01-3, 5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE, 7-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-4,9-DIMETHOXY- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 157.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(CCC2CCCCC2)CC2CC3CCCC3CC12 |
| Np Classifier Class | Chromones |
| Deep Smiles | OC[C@H]O[C@@H]OCccc=O)cco6)cOC))ccc6OC)))cco5)))))))))))))[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1CC(COC2CCCCO2)OC2CC3OCCC3CC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 684.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 4,9-dimethoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furo[3,2-g]chromen-5-one |
| Veber Rule | False |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H22O11 |
| Scaffold Graph Node Bond Level | O=c1cc(COC2CCCCO2)oc2cc3occc3cc12 |
| Inchi Key | CLABIQPMDJOSBJ-ZHQGELOASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | ammiol glucoside |
| Esol Class | Soluble |
| Functional Groups | CO, CO[C@@H](C)OC, c=O, cOC, coc |
| Compound Name | Ammiol glucoside |
| Exact Mass | 438.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 438.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H22O11/c1-26-16-9-3-4-28-17(9)19(27-2)18-12(16)10(22)5-8(30-18)7-29-20-15(25)14(24)13(23)11(6-21)31-20/h3-5,11,13-15,20-21,23-25H,6-7H2,1-2H3/t11-,13-,14+,15-,20-/m1/s1 |
| Smiles | COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Chromanes |
- 1. Outgoing r'ship
FOUND_INto/from Ammi Visnaga (Plant) Rel Props:Reference:ISBN:9788172362089