Glycoside
GD116624
Name:
Macrophylloside DFormula:
C25H34O14Smiles:
COc1cc2c(cc1C(=O)OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C=CC(C)(C)O2Aglycone:
COc1cc2c(cc1C(=O)O)C=CC(C)(C)O2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.53 | Num_heavy_atoms: | 39 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD46352
Formula: C13H14O4
Smiles:
COc1cc2c(cc1C(=O)O)C=CC(C)(C)O2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
