Glycoside
GD044018
Name:
NoneFormula:
C12H13O4N5Smiles:
OC[C@@H]1O[C@H](n2ccc3c2ncn2ncnc32)[C@@H](O)[C@@H]1OAglycone:
C1=Cc2c(ncn3ncnc23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.27 | Num_heavy_atoms: | 21 |
| TPSA: | 117.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD20369
Formula: C7H4N5
Smiles:
C1=Cc2c(ncn3ncnc23)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 57.18 | NumAromaticRings: | 2 |
