Glycoside
GD117064
Name:
Asperuloide AFormula:
C27H38O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C1COC(=O)C3C(C)CCC13)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1COC(=O)C3C(C)CCC13)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.59 | Num_heavy_atoms: | 40 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46611
Formula: C21H28O8
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C1COC(=O)C3C(C)CCC13)C2C| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
