Glycoside

GD001461
Name:
NoneFormula:
C25H27O6N8FSmiles:
O=C(NCc1ccc(F)cc1)c1cnn(-c2nc(N[C@@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
O=C(NCc1ccc(F)cc1)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.4 |
AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
MolWt: | 554.54 | Num_heavy_atoms: | 40 |
TPSA: | 181.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD01463
Formula: C20H18O2N8F
Smiles:
O=C(NCc1ccc(F)cc1)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1HBA: | 10 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.25 |
AlogP: | 2.19 | Num_rotatable_bonds: | 6 |
MolWt: | 421.42 | Num_heavy_atoms: | 31 |
TPSA: | 120.42 | NumAromaticRings: | 3 |