Glycoside

GD013459
Name:
NoneFormula:
C24H26O4N8F2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ccc(-c6cnn(C(F)F)c6)cc5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
FC(F)n1cc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.42 |
AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
MolWt: | 528.52 | Num_heavy_atoms: | 38 |
TPSA: | 137.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD10037
Formula: C19H17N8F2
Smiles:
FC(F)n1cc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cn1HBA: | 8 | RingCount: | 5 |
HBD: | 0 | FractionCSP3: | 0.26 |
AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
MolWt: | 395.4 | Num_heavy_atoms: | 29 |
TPSA: | 76.54 | NumAromaticRings: | 3 |