Glycoside
GD142778
Name:
Phellochinin AFormula:
C26H30O11Smiles:
CC(C)=CCc1cc(C2Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2O)ccc1OAglycone:
CC(C)=CCc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD57453
Formula: C20H20O6
Smiles:
CC(C)=CCc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
