Glycoside
GD005036
Name:
NoneFormula:
C28H31O14N5P2Smiles:
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]3O[C@H](n4cc(-c5cccc6ccccc56)nn4)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c1Aglycone:
C1=C(c2cccc3ccccc23)N=N[N]1.COP(=O)([O-])OP(=O)(O)OC.NC(=O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 12 |
| MolWt: | 723.53 | Num_heavy_atoms: | 49 |
| TPSA: | 282.18 | 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 |
AD04315
Formula: C12H8N3
Smiles:
C1=C(c2cccc3ccccc23)N=N[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.22 | Num_heavy_atoms: | 15 |
| TPSA: | 38.82 | NumAromaticRings: | 2 |
