Glycoside
GD120459
Name:
Austrocortinin 8-O-Î’-D-GentiobiosideFormula:
C28H32O15Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1O)C(=O)c1cc(C)ccc1C2=OAglycone:
COc1cc(O)c2c(c1O)C(=O)c1cc(C)ccc1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 242.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD48396
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(c1O)C(=O)c1cc(C)ccc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
