Glycoside
GD139991
Name:
Asperuloide CFormula:
C28H42O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C(CO)C1CCC(C)C1C(=O)OC)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C(CO)C1CCC(C)C1C(=O)OC)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 602.63 | Num_heavy_atoms: | 42 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD56446
Formula: C22H32O9
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C(CO)C1CCC(C)C1C(=O)OC)C2C| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.49 | Num_heavy_atoms: | 31 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
