Glycoside
GD101236
Name:
NoneFormula:
C22H29O6N5Smiles:
CC1CCN(C(=O)c2cccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)CC1Aglycone:
CC1CCN(C(=O)c2cccc(NC3=C(C(N)=O)N=C[N]3)c2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.5 | Num_heavy_atoms: | 33 |
| TPSA: | 163.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD42816
Formula: C17H20O2N5
Smiles:
CC1CCN(C(=O)c2cccc(NC3=C(C(N)=O)N=C[N]3)c2)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 326.38 | Num_heavy_atoms: | 24 |
| TPSA: | 101.89 | NumAromaticRings: | 1 |
