GnetuhaininS
PubChem CID: 11016150
Connections displayed (default: 10).
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| Compound Synonyms | 361444-40-8, GnetuhaininS, Gnetuhainin S |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 731.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (6R,6aS,11S,11aR)-11-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-6,6a,11,11a-tetrahydroindeno[1,2-c]chromene-3,8,10-triol |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C28H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HHCRXJSIODUTQN-VWEWBFCZSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.493 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.346 |
| Compound Name | GnetuhaininS |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 470.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 470.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 470.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.8728859714285715 |
| Inchi | InChI=1S/C28H22O7/c29-15-3-1-13(2-4-15)28-27-21-10-19(33)11-22(34)25(21)24(14-7-17(31)9-18(32)8-14)26(27)20-6-5-16(30)12-23(20)35-28/h1-12,24,26-34H/t24-,26+,27+,28-/m0/s1 |
| Smiles | C1=CC(=CC=C1[C@H]2[C@H]3[C@@H]([C@H](C4=C3C=C(C=C4O)O)C5=CC(=CC(=C5)O)O)C6=C(O2)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