Glycoside
GD089484
Name:
NoneFormula:
C21H31O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@H]5[C@H](CCC[N@H+]5C5CC5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC3C(CCC[NH+]3C3CC3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.52 | Num_heavy_atoms: | 31 |
| TPSA: | 121.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD39037
Formula: C16H22N6
Smiles:
C1=Nc2c(ncnc2N2CCC3C(CCC[NH+]3C3CC3)C2)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.39 | Num_heavy_atoms: | 22 |
| TPSA: | 59.92 | NumAromaticRings: | 1 |
