Glycoside
GD001893
Name:
NoneFormula:
C26H33O17N9P2Smiles:
CO[C@@H]1[C@H](O[P@@](=O)(NCCCC(C(=O)[O-])C(=O)[O-])OC[C@@H]2C[C@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@H](COP(=O)([O-])[O-])O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)([O-])[O-].Nc1ccn(C2OC(COP(=O)(O)NCCCC(C(=O)[O-])C(=O)[O-])CC2O)c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -6.06 | Num_rotatable_bonds: | 18 |
| MolWt: | 805.54 | Num_heavy_atoms: | 54 |
| TPSA: | 398.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD01339
Formula: CH3O4P
Smiles:
COP(=O)([O-])[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 72.42 | NumAromaticRings: | 0 |
AD01847
Formula: C15H21O10N4P
Smiles:
Nc1ccn(C2OC(COP(=O)(O)NCCCC(C(=O)[O-])C(=O)[O-])CC2O)c(=O)n1| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 448.33 | Num_heavy_atoms: | 30 |
| TPSA: | 229.19 | NumAromaticRings: | 1 |
