Glycoside
GD125794
Name:
oplopanpheside cFormula:
C23H32O13Smiles:
COc1cc(C=CCO)cc(OC)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.COc1cc(C=CCO)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 516.5 | Num_heavy_atoms: | 36 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD05747
Formula: C11H14O4
Smiles:
COc1cc(C=CCO)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
