Glycoside
GD125134
Name:
LactucopicrisideFormula:
C29H32O12Smiles:
C=C1C(=O)OC2C3C(COC4OC(CO)C(O)C(O)C4O)=CC(=O)C3=C(C)CC(OC(=O)Cc3ccc(O)cc3)C12Aglycone:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(OC(=O)Cc3ccc(O)cc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD50602
Formula: C23H22O7
Smiles:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(OC(=O)Cc3ccc(O)cc3)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.42 | Num_heavy_atoms: | 30 |
| TPSA: | 110.13 | NumAromaticRings: | 1 |
