Glycoside
GD112919
Name:
NoneFormula:
C33H22O17N4Smiles:
O=C(O[C@H]1[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Aglycone:
O=C(O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 12 |
| MolWt: | 746.55 | Num_heavy_atoms: | 54 |
| TPSA: | 286.99 | NumAromaticRings: | 4 |
Unique Aglycone
AD04460
Formula: C7H5O4N
Smiles:
O=C(O)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.12 | Num_heavy_atoms: | 12 |
| TPSA: | 80.44 | NumAromaticRings: | 1 |
