Glycoside
GD127028
Name:
3'-L-Tyrosyl-AmpFormula:
C19H23O9N6PSmiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OC(=O)C(N)Cc2ccc(O)cc2)C1OAglycone:
COP(=O)(O)O.NC(Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.4 | Num_heavy_atoms: | 35 |
| TPSA: | 238.39 | 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 |
AD02060
Formula: C9H11O3N
Smiles:
NC(Cc1ccc(O)cc1)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 83.55 | NumAromaticRings: | 1 |
