Glycoside
GD099997
Name:
NoneFormula:
C25H31O6N3Smiles:
COc1ccccc1N1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@@H](O)[C@H]2O)CC1Aglycone:
CNC(=O)c1ccccc1.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.54 | Num_heavy_atoms: | 34 |
| TPSA: | 111.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
