Glycoside
GD001410
Name:
NoneFormula:
C21H26O6N6Smiles:
Nc1nc(NCCc2ccc(CCC(=O)O)cc2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NCCc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.48 | Num_heavy_atoms: | 33 |
| TPSA: | 188.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD01419
Formula: C16H17O2N6
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 325.35 | Num_heavy_atoms: | 24 |
| TPSA: | 127.59 | NumAromaticRings: | 2 |
