Glycoside
GD130740
Name:
Oplopanpheside AFormula:
C21H28O13Smiles:
COC(=O)c1ccc(OC2OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C2O)c(OC)c1Aglycone:
COC(=O)CC(C)(O)CC(=O)O.COC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.44 | Num_heavy_atoms: | 34 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
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 |
