Glycoside
GD135146
Name:
NoneFormula:
C25H32O6N4Smiles:
COc1ccccc1N1CCN(C(=O)CC2OC(CN=C(O)Nc3ccccc3)C(O)C2O)CC1Aglycone:
CN=C(O)Nc1ccccc1.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 484.55 | Num_heavy_atoms: | 35 |
| TPSA: | 127.09 | NumAromaticRings: | 2 |
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 |
AD46818
Formula: C8H10ON2
Smiles:
CN=C(O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
