Glycoside
GD120325
Name:
HydroxyornosideFormula:
C32H36O14Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCC(O)c3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21Aglycone:
CC=C1C(O)OC=C2C(=O)OCC(O)c3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 644.63 | Num_heavy_atoms: | 46 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD48327
Formula: C26H26O9
Smiles:
CC=C1C(O)OC=C2C(=O)OCC(O)c3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)CC21| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 482.49 | Num_heavy_atoms: | 35 |
| TPSA: | 131.75 | NumAromaticRings: | 2 |
