Glycoside
GD008943
Name:
NoneFormula:
C16H18O5N4Smiles:
Cc1nc(N)c2c(-c3ccco3)cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Cc1nc(N)c2c(n1)[N]C=C2c1ccco1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 139.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD07075
Formula: C11H9ON4
Smiles:
Cc1nc(N)c2c(n1)[N]C=C2c1ccco1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.22 | Num_heavy_atoms: | 16 |
| TPSA: | 79.04 | NumAromaticRings: | 2 |
