Glycoside
GD112910
Name:
NoneFormula:
C36H31O14NSmiles:
COc1ccccc1C(=O)OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2OC)[C@@H]1OC(=O)c1ccccc1OCAglycone:
COC(=O)c1ccccc1OC.COc1ccccc1C(=O)O.COc1ccccc1C(=O)O.O=C(O)c1ccc([N+](=O)[O-])cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 13 |
| MolWt: | 701.64 | Num_heavy_atoms: | 51 |
| TPSA: | 185.26 | 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 |
AD11503
Formula: C9H10O3
Smiles:
COC(=O)c1ccccc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD19342
Formula: C8H8O3
Smiles:
COc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
