Glycoside
GD126648
Name:
Macrocliniside CFormula:
C21H28O8Smiles:
C=C1C(=O)OC2CC(=C)C3CC(OC4OC(CO)C(O)C(O)C4O)C(=C)C3CC12Aglycone:
C=C1C(=O)OC2CC(=C)C3CC(O)C(=C)C3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD51262
Formula: C15H18O3
Smiles:
C=C1C(=O)OC2CC(=C)C3CC(O)C(=C)C3CC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
