Glycoside
GD000654
Name:
NoneFormula:
C15H20O5N8Smiles:
CNc1nc(-n2cc(CCO)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1nc(-n2cc(CCO)nn2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.38 | Num_heavy_atoms: | 28 |
| TPSA: | 176.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD00707
Formula: C10H11ON8
Smiles:
CNc1nc(-n2cc(CCO)nn2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.25 | Num_heavy_atoms: | 19 |
| TPSA: | 115.21 | NumAromaticRings: | 2 |
