Glycoside
GD091123
Name:
NoneFormula:
C19H29O7N5Smiles:
CC(C)(C)OC(=O)N1C=C(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCC1Aglycone:
CC(C)(C)OC(=O)N1C=C(NC2=C(C(N)=O)N=C[N]2)CCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.47 | Num_heavy_atoms: | 31 |
| TPSA: | 172.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD39719
Formula: C14H20O3N5
Smiles:
CC(C)(C)OC(=O)N1C=C(NC2=C(C(N)=O)N=C[N]2)CCC1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.35 | Num_heavy_atoms: | 22 |
| TPSA: | 111.12 | NumAromaticRings: | 0 |
