Glycoside
GD143664
Name:
3'-L-Histidyl-AmpFormula:
C16H21O8N8PSmiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OC(=O)C(N)Cc2cnc[nH]2)C1OAglycone:
COP(=O)(O)O.NC(Cc1cnc[nH]1)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 484.37 | Num_heavy_atoms: | 33 |
| TPSA: | 246.84 | 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 |
AD57768
Formula: C6H9O2N3
Smiles:
NC(Cc1cnc[nH]1)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.16 | Num_heavy_atoms: | 11 |
| TPSA: | 92.0 | NumAromaticRings: | 1 |
