Glycoside
GD029968
Name:
NoneFormula:
C26H30O7N2Smiles:
COCCNC(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC[C@H](O)[C@H](O)CO)ccc1C3=OAglycone:
COCCNC(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1ccccc1C3=OSugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.53 | Num_heavy_atoms: | 35 |
| TPSA: | 141.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD19435
Formula: C22H22O3N2
Smiles:
COCCNC(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1ccccc1C3=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.43 | Num_heavy_atoms: | 27 |
| TPSA: | 71.19 | NumAromaticRings: | 3 |
