Glycoside
GD015458
Name:
NoneFormula:
C15H17O5N5Smiles:
Nc1nc(N)c2c(-c3ccco3)cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc(N)c2c(n1)[N]C=C2c1ccco1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.33 | Num_heavy_atoms: | 25 |
| TPSA: | 165.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD11229
Formula: C10H8ON5
Smiles:
Nc1nc(N)c2c(n1)[N]C=C2c1ccco1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.21 | Num_heavy_atoms: | 16 |
| TPSA: | 105.06 | NumAromaticRings: | 2 |
