Glycoside
GD005453
Name:
NoneFormula:
C20H23O6N7Smiles:
Nc1nc(NN=Cc2ccc(CCC(=O)O)cc2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(NN=Cc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.45 | Num_heavy_atoms: | 33 |
| TPSA: | 201.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD04634
Formula: C15H14O2N7
Smiles:
Nc1nc(NN=Cc2ccc(CCC(=O)O)cc2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.32 | Num_heavy_atoms: | 24 |
| TPSA: | 139.95 | NumAromaticRings: | 2 |
