Glycoside
GD135524
Name:
Macrocliniside HFormula:
C21H30O9Smiles:
C=C(C(=O)O)C1CC2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC2C(=C)CC1OAglycone:
C=C(C(=O)O)C1CC2C(=C)C(O)CC2C(=C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54796
Formula: C15H20O4
Smiles:
C=C(C(=O)O)C1CC2C(=C)C(O)CC2C(=C)CC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
