Glycoside
GD115470
Name:
NoneFormula:
C18H25O4N5Smiles:
CN(C)Cc1cn(CC2OC(CC(O)=Nc3ccccc3)C(O)C2O)nn1Aglycone:
CC(O)=Nc1ccccc1.CN(C)Cc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 375.43 | Num_heavy_atoms: | 27 |
| TPSA: | 116.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD12540
Formula: C6H12N4
Smiles:
CN(C)Cc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.19 | Num_heavy_atoms: | 10 |
| TPSA: | 33.95 | NumAromaticRings: | 1 |
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
