Glycoside
GD121454
Name:
Decuroside IiiFormula:
C26H34O14Smiles:
CC(C)(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1Cc2cc3ccc(=O)oc3cc2O1Aglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.54 | Num_heavy_atoms: | 40 |
| TPSA: | 217.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD03997
Formula: C14H14O4
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
