Glycoside
GD039924
Name:
Phosphoribosyl-AtpFormula:
C15H25O20N5P4Smiles:
N=c1c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]3O)c2ncn1[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N=C1[N]C=NC2=C1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 719.28 | Num_heavy_atoms: | 44 |
| TPSA: | 385.45 | 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 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD24591
Formula: C5H3N5
Smiles:
N=C1[N]C=NC2=C1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.11 | Num_heavy_atoms: | 10 |
| TPSA: | 76.77 | NumAromaticRings: | 0 |
