Glycybridin C
PubChem CID: 132504087
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| Compound Synonyms | Glycybridin C, CHEMBL4081388, 2088505-67-1 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 617.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C25H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YEROQRRJBUNBOY-HSZRJFAPSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.613 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.16 |
| Compound Name | Glycybridin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.109562000000001 |
| Inchi | InChI=1S/C25H30O5/c1-15(2)5-8-18-13-17(7-11-21(18)26)14-23(28)25(30)20-10-12-22(27)19(24(20)29)9-6-16(3)4/h5-7,10-13,23,26-29H,8-9,14H2,1-4H3/t23-/m1/s1 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C[C@H](C(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients