Glycoside
GD141919
Name:
SerrulatosideFormula:
C27H42O14Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)CC(O)C2O)C2CC=C(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12Sugarmoiety:
OCC1OC(OCC2CC(O)C(O)C(O)O2)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 590.62 | Num_heavy_atoms: | 41 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD55361
Formula: C15H22O5
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
