Glycoside
GD081767
Name:
NoneFormula:
C19H25O8N3Smiles:
COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
COc1cc2ccn(C(=O)CN(C)C)c2cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 423.42 | Num_heavy_atoms: | 30 |
| TPSA: | 161.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD36760
Formula: C13H17O2N3
Smiles:
COc1cc2ccn(C(=O)CN(C)C)c2cc1N| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 247.3 | Num_heavy_atoms: | 18 |
| TPSA: | 60.49 | NumAromaticRings: | 2 |
