4,8,9,10-tetrahydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[c]chromen-6-one
PubChem CID: 5318194
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| Topological Polar Surface Area | 177.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 719.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8,9,10-tetrahydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[c]chromen-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Molecular Formula | C22H16O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLLKYCCCVKMSMP-UHFFFAOYSA-N |
| Fcsp3 | 0.1363636363636363 |
| Logs | -2.277 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.126 |
| Compound Name | 4,8,9,10-tetrahydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[c]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.074 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 440.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.409432000000002 |
| Inchi | InChI=1S/C22H16O10/c23-8-3-12(24)9-5-15(27)20(31-16(9)4-8)7-1-10-17-11(6-13(25)18(28)19(17)29)22(30)32-21(10)14(26)2-7/h1-4,6,15,20,23-29H,5H2 |
| Smiles | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C3)O)OC(=O)C5=CC(=C(C(=C54)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients