Glycoside
GD119168
Name:
Lysidiside VFormula:
C32H36O14Smiles:
CC(C)CC(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)cc3)C2O)c1OAglycone:
CC(C)CC(=O)c1c(O)cc(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)cc3)C2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 644.63 | Num_heavy_atoms: | 46 |
| TPSA: | 247.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD47702
Formula: C26H26O9
Smiles:
CC(C)CC(=O)c1c(O)cc(O)c(C2c3c(O)cc(O)cc3OC(c3ccc(O)cc3)C2O)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.49 | Num_heavy_atoms: | 35 |
| TPSA: | 167.91 | NumAromaticRings: | 3 |
