Glycoside
GD016787
Name:
NoneFormula:
C25H32O4N9F3Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 579.58 | Num_heavy_atoms: | 41 |
| TPSA: | 166.92 | 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 |
AD12045
Formula: C18H20N8F3
Smiles:
Nc1nc(NCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.41 | Num_heavy_atoms: | 29 |
| TPSA: | 96.77 | NumAromaticRings: | 2 |
