Glycoside
GD035444
Name:
NoneFormula:
C22H27O4N8FSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(N4CCN(c5ccc(F)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.51 | Num_heavy_atoms: | 35 |
| TPSA: | 154.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD22425
Formula: C15H15N7F
Smiles:
Nc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.33 | Num_heavy_atoms: | 23 |
| TPSA: | 84.74 | NumAromaticRings: | 2 |
