Glycoside
GD001108
Name:
NoneFormula:
C22H26O4N6SSmiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1csc(N)n1)c1ccc(-n2cccn2)cc1Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.Nc1nc(C2CCCN2)cs1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.56 | Num_heavy_atoms: | 33 |
| TPSA: | 146.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD01153
Formula: C11H13N3
Smiles:
CC(N)c1ccc(-n2cccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
AD01154
Formula: C7H11N3S
Smiles:
Nc1nc(C2CCCN2)cs1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.25 | Num_heavy_atoms: | 11 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
