Glycoside
GD028125
Name:
NoneFormula:
C19H24O5N6Smiles:
Nc1ccn([C@@H]2O[C@H](C(=O)N3CCN(Cc4ccccn4)CC3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=CN1CCN(Cc2ccccn2)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.44 | Num_heavy_atoms: | 30 |
| TPSA: | 147.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD18414
Formula: C11H15ON3
Smiles:
O=CN1CCN(Cc2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
