Glycoside
GD026706
Name:
OXYTROFLAVOSIDE BFormula:
C34H40O19Smiles:
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
CC(O)(CC(=O)O)CC(=O)O.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 752.68 | Num_heavy_atoms: | 53 |
| TPSA: | 301.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
AD17237
Formula: C6H10O5
Smiles:
CC(O)(CC(=O)O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
