Glycoside
GD121024
Name:
BoucheosideFormula:
C27H34O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)cc1)C2(C)OAglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)cc1)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD48675
Formula: C21H24O9
Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)cc1)C2(C)O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
