Glycoside
GD071279
Name:
NoneFormula:
C15H25O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H]([NH3+])CC[C@@H]([NH3+])C(=O)O)[C@@H](O)[C@H]1OAglycone:
CC([NH3+])CCC([NH3+])C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.6 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 383.41 | Num_heavy_atoms: | 27 |
| TPSA: | 211.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD33542
Formula: C6H16O2N2
Smiles:
CC([NH3+])CCC([NH3+])C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 148.21 | Num_heavy_atoms: | 10 |
| TPSA: | 92.58 | NumAromaticRings: | 0 |
