Glycoside
GD101290
Name:
NoneFormula:
C23H31O7N5Smiles:
CC(C)(C)OC(=O)N1CCc2cc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc2C1Aglycone:
CC(C)(C)OC(=O)N1CCc2cc(NC3=C(C(N)=O)N=C[N]3)ccc2C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.53 | Num_heavy_atoms: | 35 |
| TPSA: | 172.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD42856
Formula: C18H22O3N5
Smiles:
CC(C)(C)OC(=O)N1CCc2cc(NC3=C(C(N)=O)N=C[N]3)ccc2C1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.41 | Num_heavy_atoms: | 26 |
| TPSA: | 111.12 | NumAromaticRings: | 1 |
