Glycoside
GD089215
Name:
NoneFormula:
C21H31O5N5Smiles:
COCCNC(=O)C[C@@H]1O[C@H](Cn2cc(CN(C)Cc3ccccc3)nn2)[C@@H](O)[C@H]1OAglycone:
CN(Cc1ccccc1)Cc1cn(C)nn1.COCCNC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 433.51 | Num_heavy_atoms: | 31 |
| TPSA: | 121.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD24971
Formula: C5H11O2N
Smiles:
COCCNC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
AD38153
Formula: C12H16N4
Smiles:
CN(Cc1ccccc1)Cc1cn(C)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.29 | Num_heavy_atoms: | 16 |
| TPSA: | 33.95 | NumAromaticRings: | 2 |
