Glycoside
GD145538
Name:
NoneFormula:
C22H31O9N3Smiles:
COc1ccccc1N1CCN(C(=O)CC2OC(CN=C(O)COCC(=O)O)C(O)C2O)CC1Aglycone:
CN=C(O)COCC(=O)O.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 481.5 | Num_heavy_atoms: | 34 |
| TPSA: | 161.59 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD57497
Formula: C5H9O4N
Smiles:
CN=C(O)COCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 147.13 | Num_heavy_atoms: | 10 |
| TPSA: | 79.12 | NumAromaticRings: | 0 |
