Glycoside
GD019636
Name:
DAPHNORINFormula:
C25H22O12Smiles:
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.44 | Num_heavy_atoms: | 37 |
| TPSA: | 178.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD12849
Formula: C19H12O7
Smiles:
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.3 | Num_heavy_atoms: | 26 |
| TPSA: | 99.11 | NumAromaticRings: | 4 |
