Glycoside
GD116014
Name:
3'-L-Lysyl-AmpFormula:
C16H26O8N7PSmiles:
NCCCCC(N)C(=O)OC1C(COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1OAglycone:
COP(=O)(O)O.NCCCCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 475.4 | Num_heavy_atoms: | 32 |
| TPSA: | 244.18 | 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 |
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 |
AD10062
Formula: C6H14O2N2
Smiles:
NCCCCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 89.34 | NumAromaticRings: | 0 |
