Glycoside
GD010087
Name:
NoneFormula:
C30H29O3N7FClSmiles:
Cc1cc(C)cc(-c2nc(Nc3ccc(Cl)cc3F)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
Cc1cc(C)cc(-c2nc3c(c(Nc4ccc(Cl)cc4F)n2)N=C[N]3)c1.Cc1cc(C)n(C)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.05 | Num_heavy_atoms: | 41 |
| TPSA: | 123.14 | NumAromaticRings: | 5 |
Unique Aglycone
AD00279
Formula: C6H10N2
Smiles:
Cc1cc(C)n(C)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.16 | Num_heavy_atoms: | 8 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
AD07836
Formula: C20H14N5FCl
Smiles:
Cc1cc(C)cc(-c2nc3c(c(Nc4ccc(Cl)cc4F)n2)N=C[N]3)c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.81 | Num_heavy_atoms: | 26 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
