Glycoside
GD013325
Name:
NoneFormula:
C15H17O14N3P2Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)Oc1ccc([N+](=O)[O-])cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.26 | Num_heavy_atoms: | 34 |
| TPSA: | 249.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD09964
Formula: C7H9O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)Oc1ccc([N+](=O)[O-])cc1| HBA: | 10 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 313.1 | Num_heavy_atoms: | 19 |
| TPSA: | 145.43 | NumAromaticRings: | 1 |
