(2R,3S,4R,4aS)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
PubChem CID: 11011744
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 108.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,4aS)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.4 |
| Molecular Formula | C14H13NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYDLFVZOIDOGSO-ZJNJWXDTSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -1.882 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.379 |
| Compound Name | (2R,3S,4R,4aS)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.074 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 291.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2083343714285721 |
| Inchi | InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m1/s1 |
| Smiles | C1OC2=C(O1)C=C3C(=C2)C4=C[C@H]([C@@H]([C@@H]([C@H]4NC3=O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycoris Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients