Glycoside
GD006605
Name:
NoneFormula:
C17H21O4N7Smiles:
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCc2cccnc2)[C@H](O)[C@H]1OAglycone:
CNC1=Nc2c(N)ncnc2[N]1.COCc1cccnc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.4 | Num_heavy_atoms: | 28 |
| TPSA: | 153.46 | NumAromaticRings: | 3 |
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 |
AD05453
Formula: C7H9ON
Smiles:
COCc1cccnc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 22.12 | NumAromaticRings: | 1 |
