Glycoside
GD034575
Name:
NoneFormula:
C22H27O5N5Smiles:
CC(C)(C)c1ccc(-c2c(C(N)=O)c3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)c1ccc(C2=C(C(N)=O)c3c(N)ncnc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 441.49 | Num_heavy_atoms: | 32 |
| TPSA: | 169.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD21967
Formula: C17H18ON5
Smiles:
CC(C)(C)c1ccc(C2=C(C(N)=O)c3c(N)ncnc3[N]2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.37 | Num_heavy_atoms: | 23 |
| TPSA: | 108.99 | NumAromaticRings: | 2 |
