Glycoside
GD006713
Name:
NoneFormula:
C27H33O4N7Smiles:
Cc1cc(C)cc(-c2nc(N[C@@H]3CCOC3)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
Cc1cc(C)cc(-c2nc3c(c(NC4CCOC4)n2)N=C[N]3)c1.Cc1cc(C)n(C)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.61 | Num_heavy_atoms: | 38 |
| TPSA: | 132.37 | NumAromaticRings: | 4 |
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 |
AD05524
Formula: C17H18ON5
Smiles:
Cc1cc(C)cc(-c2nc3c(c(NC4CCOC4)n2)N=C[N]3)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.36 | Num_heavy_atoms: | 23 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
