(-)-Ampelopsin F
PubChem CID: 484755
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (-)-Ampelopsin F, (1S,1aS,5bS,10R)-1,10-Bis-(4-hydroxy-phenyl)-1,1a,5b,10-tetrahydro-cycloprop[a]indeno[2,1-b]indene-3,5,7,9-tetraol |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,10S,17S)-2,17-bis(4-hydroxyphenyl)pentacyclo[8.7.0.01,3.04,9.011,16]heptadeca-4(9),5,7,11(16),12,14-hexaene-6,8,13,15-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C29H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MCMCLWLMWYYHDE-FIXYLZMVSA-N |
| Fcsp3 | 0.1724137931034483 |
| Logs | -4.842 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.376 |
| Compound Name | (-)-Ampelopsin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 466.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 466.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 466.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.917460371428572 |
| Inchi | InChI=1S/C29H22O6/c30-15-5-1-13(2-6-15)25-23-19(9-17(32)11-21(23)34)27-24-20(10-18(33)12-22(24)35)28-26(29(25,27)28)14-3-7-16(31)8-4-14/h1-12,25-28,30-35H/t25-,26+,27+,28+,29?/m1/s1 |
| Smiles | C1=CC(=CC=C1[C@H]2[C@H]3C24[C@@H](C5=C([C@H]4C6=C3C=C(C=C6O)O)C=C(C=C5O)O)C7=CC=C(C=C7)O)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caragana Sinica (Plant) Rel Props:Source_db:cmaup_ingredients