Glycoside
GD047944
Name:
NoneFormula:
C13H20O5N4Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cnc(N3CCC3)nc2)[C@@H](O)[C@@H]1OAglycone:
Nc1cnc(N2CCC2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.33 | Num_heavy_atoms: | 22 |
| TPSA: | 131.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD25747
Formula: C7H10N4
Smiles:
Nc1cnc(N2CCC2)nc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.19 | Num_heavy_atoms: | 11 |
| TPSA: | 55.04 | NumAromaticRings: | 1 |
