Glycoside
GD062914
Name:
NoneFormula:
C16H23O5N5Smiles:
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
CC1CCN(C2=Nc3c(nc[nH]c3=O)[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.39 | Num_heavy_atoms: | 26 |
| TPSA: | 136.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD30337
Formula: C11H14ON5
Smiles:
CC1CCN(C2=Nc3c(nc[nH]c3=O)[N]2)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 232.27 | Num_heavy_atoms: | 17 |
| TPSA: | 75.45 | NumAromaticRings: | 1 |
