Glycoside
GD050000
Name:
NoneFormula:
C14H23O5N3Smiles:
CC(C)(C)c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
CC(C)(C)c1ccc(N)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.35 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD26455
Formula: C8H13N3
Smiles:
CC(C)(C)c1ccc(N)nn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.21 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
