Glycoside
GD038984
Name:
3'-L-Phenylalanyl-AmpFormula:
C19H23O8N6PSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@H](N)Cc2ccccc2)[C@@H]1OAglycone:
COP(=O)(O)O.NC(Cc1ccccc1)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.4 | Num_heavy_atoms: | 34 |
| TPSA: | 218.16 | NumAromaticRings: | 3 |
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 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24219
Formula: C9H11O2N
Smiles:
NC(Cc1ccccc1)C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
