Glycoside
GD132204
Name:
Monardin AFormula:
C19H26O9Smiles:
Cc1ccc(C(C)C)cc1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.Cc1ccc(C(C)C)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 398.41 | Num_heavy_atoms: | 28 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD44034
Formula: C10H14O
Smiles:
Cc1ccc(C(C)C)cc1O| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.22 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
