Glycoside
GD085774
Name:
NoneFormula:
C20H29O4N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCC(C5CCCC5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC(C3CCCC3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 403.48 | Num_heavy_atoms: | 29 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD38195
Formula: C15H20N5
Smiles:
C1=Nc2c(ncnc2N2CCC(C3CCCC3)CC2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.36 | Num_heavy_atoms: | 20 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
