Glycoside
GD009686
Name:
NoneFormula:
C21H19O4N6F3Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(F)(F)F)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#Cc2ccc(C(F)(F)F)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.42 | Num_heavy_atoms: | 34 |
| TPSA: | 148.41 | 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 |
AD07573
Formula: C14H7N5F3
Smiles:
Nc1nc(C#Cc2ccc(C(F)(F)F)cc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
