Glycoside
GD019491
Name:
AdenylosuccinateFormula:
C14H18O11N5PSmiles:
O=C(O)CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1O)C(=O)OAglycone:
COP(=O)(O)O.O=C(O)CC(Nc1ncnc2c1N=C[N]2)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 463.3 | Num_heavy_atoms: | 31 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD13604
Formula: C9H8O4N5
Smiles:
O=C(O)CC(Nc1ncnc2c1N=C[N]2)C(=O)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 250.19 | Num_heavy_atoms: | 18 |
| TPSA: | 138.87 | NumAromaticRings: | 1 |
