Glycoside
GD141059
Name:
NoneFormula:
C21H33O5N3Smiles:
COc1ccccc1N1CCN(C(=O)CC2OC(CNC(C)C)C(O)C2O)CC1Aglycone:
CNC(C)C.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.51 | Num_heavy_atoms: | 29 |
| TPSA: | 94.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00552
Formula: C4H11N
Smiles:
CNC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.14 | Num_heavy_atoms: | 5 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
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 |
