(6R,6aS,11R,11aS)-6-(2,4-dihydroxyphenyl)-11-(3,5-dihydroxyphenyl)-6,6a,11,11a-tetrahydroindeno[1,2-c]chromene-3,8,10-triol
PubChem CID: 101105758
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| Topological Polar Surface Area | 151.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 771.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (6R,6aS,11R,11aS)-6-(2,4-dihydroxyphenyl)-11-(3,5-dihydroxyphenyl)-6,6a,11,11a-tetrahydroindeno[1,2-c]chromene-3,8,10-triol |
| Prediction Hob | 0.0 |
| Xlogp | 4.0 |
| Molecular Formula | C28H22O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XIXZNYHEKVCUNJ-NXBJLNSTSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.329 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.165 |
| Compound Name | (6R,6aS,11R,11aS)-6-(2,4-dihydroxyphenyl)-11-(3,5-dihydroxyphenyl)-6,6a,11,11a-tetrahydroindeno[1,2-c]chromene-3,8,10-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 486.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 486.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 486.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.737484533333334 |
| Inchi | InChI=1S/C28H22O8/c29-13-1-3-18(21(34)9-13)28-27-20-8-17(33)10-22(35)25(20)24(12-5-15(31)7-16(32)6-12)26(27)19-4-2-14(30)11-23(19)36-28/h1-11,24,26-35H/t24-,26+,27-,28+/m1/s1 |
| Smiles | C1=CC2=C(C=C1O)O[C@H]([C@H]3[C@@H]2[C@@H](C4=C3C=C(C=C4O)O)C5=CC(=CC(=C5)O)O)C6=C(C=C(C=C6)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gnetum Parvifolium (Plant) Rel Props:Source_db:cmaup_ingredients