Glycoside
GD112547
Name:
NoneFormula:
C27H21O13N3Smiles:
C[C@@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)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-])cc1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 595.47 | Num_heavy_atoms: | 43 |
| TPSA: | 217.55 | NumAromaticRings: | 3 |
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 |
