Glycoside
GD012388
Name:
NoneFormula:
C18H28O4N6Smiles:
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCC2CCCCC2)[C@H](O)[C@H]1OAglycone:
CNC1=Nc2c(N)ncnc2[N]1.COCC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.46 | Num_heavy_atoms: | 28 |
| TPSA: | 140.57 | 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 |
AD09351
Formula: C8H16O
Smiles:
COCC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 128.22 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
