Glycoside
GD035733
Name:
NoneFormula:
C24H33O6N7Smiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNCc4ccc(OCCCN5CCOCC5)cc4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNCc1ccc(OCCCN2CCOCC2)cc1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 515.57 | Num_heavy_atoms: | 37 |
| TPSA: | 173.27 | 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 |
AD22595
Formula: C15H24O2N2
Smiles:
CNCc1ccc(OCCCN2CCOCC2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 264.37 | Num_heavy_atoms: | 19 |
| TPSA: | 33.73 | NumAromaticRings: | 1 |
