Glycoside
GD018928
Name:
NoneFormula:
C22H29O6N7Smiles:
CCOC(=O)c1cnn(-c2nc(NC3CCCCC3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
CCOC(=O)c1cnn(-c2nc3c(c(NC4CCCCC4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 487.52 | Num_heavy_atoms: | 35 |
| TPSA: | 169.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD13267
Formula: C17H20O2N7
Smiles:
CCOC(=O)c1cnn(-c2nc3c(c(NC4CCCCC4)n2)N=C[N]3)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.39 | Num_heavy_atoms: | 26 |
| TPSA: | 108.39 | NumAromaticRings: | 2 |
