Glycoside
GD013211
Name:
NoneFormula:
C16H28O4N8Smiles:
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@H](O)[C@H]1OAglycone:
CN(C)CCCCON.CNC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 396.45 | Num_heavy_atoms: | 28 |
| TPSA: | 169.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD03690
Formula: C6H7N6
Smiles:
CNC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
AD03708
Formula: C6H16ON2
Smiles:
CN(C)CCCCON| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 132.21 | Num_heavy_atoms: | 9 |
| TPSA: | 38.49 | NumAromaticRings: | 0 |
