Glycoside
GD005093
Name:
NoneFormula:
C20H29O4N7Smiles:
O=C([C@@H]1OC(n2cnc3c(NN4CCCCC4)ncnc32)[C@H](O)[C@H]1O)N1CCCCC1Aglycone:
C1=Nc2c(ncnc2NN2CCCCC2)[N]1.O=CN1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.5 | Num_heavy_atoms: | 31 |
| TPSA: | 128.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD04359
Formula: C10H13N6
Smiles:
C1=Nc2c(ncnc2NN2CCCCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 217.26 | Num_heavy_atoms: | 16 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
AD04360
Formula: C6H11ON
Smiles:
O=CN1CCCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
