7-hydroxy-8-[2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-6-yl]chromen-2-one
PubChem CID: 56955042
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 172.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 874.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 7-hydroxy-8-[2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-6-yl]chromen-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.0 |
| Molecular Formula | C24H20O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NNPSODHWEGYGOP-XQKZCQIMSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.35 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.365 |
| Compound Name | 7-hydroxy-8-[2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-6-yl]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 484.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.101 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 484.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5091177428571438 |
| Inchi | InChI=1S/C24H20O11/c25-9-16-20(29)21(30)22(31)24(34-16)33-15-8-14-11(3-6-17(27)32-14)7-12(15)19-13(26)4-1-10-2-5-18(28)35-23(10)19/h1-8,16,20-22,24-26,29-31H,9H2/t16-,20-,21+,22-,24-/m1/s1 |
| Smiles | C1=CC(=C(C2=C1C=CC(=O)O2)C3=C(C=C4C(=C3)C=CC(=O)O4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Feddei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Solanum Aculeatissimum (Plant) Rel Props:Source_db:cmaup_ingredients