Glycoside
GD032122
Name:
BALSAMINONE BFormula:
C27H22O10Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=OAglycone:
COc1c(O)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.46 | Num_heavy_atoms: | 37 |
| TPSA: | 155.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD20628
Formula: C21H12O5
Smiles:
COc1c(O)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 344.32 | Num_heavy_atoms: | 26 |
| TPSA: | 76.74 | NumAromaticRings: | 4 |
