Glycoside
GD035472
Name:
NoneFormula:
C28H33O15N7P2Smiles:
COc1ccc(-c2nc3c(N)ncnc3n2[C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@@H]3O[C@H]([n+]4cccc(C(N)=O)c4)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)([O-])OP(=O)(O)OC.COc1ccc(C2=Nc3c(N)ncnc3[N]2)cc1.NC(=O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 769.55 | Num_heavy_atoms: | 52 |
| TPSA: | 330.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD00068
Formula: C2H7O7P2
Smiles:
COP(=O)([O-])OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.02 | Num_heavy_atoms: | 11 |
| TPSA: | 105.12 | NumAromaticRings: | 0 |
AD00069
Formula: C6H7ON2
Smiles:
NC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.13 | Num_heavy_atoms: | 9 |
| TPSA: | 57.23 | NumAromaticRings: | 1 |
AD22437
Formula: C12H10ON5
Smiles:
COc1ccc(C2=Nc3c(N)ncnc3[N]2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 87.49 | NumAromaticRings: | 2 |
