Glycoside
GD084018
Name:
NoneFormula:
C18H23O4N7Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCCNc4ccccn4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCCNc2ccccn2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 401.43 | Num_heavy_atoms: | 29 |
| TPSA: | 150.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD37488
Formula: C13H14N7
Smiles:
C1=Nc2c(ncnc2NCCCNc2ccccn2)[N]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 268.3 | Num_heavy_atoms: | 20 |
| TPSA: | 89.19 | NumAromaticRings: | 2 |
