Glycoside
GD085809
Name:
NoneFormula:
C21H24O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@]5(CNc6ccccc65)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCC3(CNc4ccccc43)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.46 | Num_heavy_atoms: | 31 |
| TPSA: | 128.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD38217
Formula: C16H15N6
Smiles:
C1=Nc2c(ncnc2N2CCC3(CNc4ccccc43)C2)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 291.34 | Num_heavy_atoms: | 22 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
