Glycoside
GD021613
Name:
NoneFormula:
C21H27O6N7Smiles:
CCOC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
CCOC(=O)c1cnn(-c2nc3c(c(NC4CCCC4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.49 | Num_heavy_atoms: | 34 |
| TPSA: | 169.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD14748
Formula: C16H18O2N7
Smiles:
CCOC(=O)c1cnn(-c2nc3c(c(NC4CCCC4)n2)N=C[N]3)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.37 | Num_heavy_atoms: | 25 |
| TPSA: | 108.39 | NumAromaticRings: | 2 |
