Glycoside
GD102385
Name:
NoneFormula:
C22H29O7N5Smiles:
CC(C)(C)OC(=O)N1CCc2c(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cccc21Aglycone:
CC(C)(C)OC(=O)N1CCc2c(NC3=C(C(N)=O)N=C[N]3)cccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 475.5 | Num_heavy_atoms: | 34 |
| TPSA: | 172.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD43329
Formula: C17H20O3N5
Smiles:
CC(C)(C)OC(=O)N1CCc2c(NC3=C(C(N)=O)N=C[N]3)cccc21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.38 | Num_heavy_atoms: | 25 |
| TPSA: | 111.12 | NumAromaticRings: | 1 |
