Glycoside
GD021593
Name:
NoneFormula:
C18H24O5N8SSmiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNCc4cnc(N5CCOCC5)s4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNCc1cnc(N2CCOCC2)s1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 176.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD03870
Formula: C9H15ON3S
Smiles:
CNCc1cnc(N2CCOCC2)s1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.31 | Num_heavy_atoms: | 14 |
| TPSA: | 37.39 | NumAromaticRings: | 1 |
