Glycoside
GD036796
Name:
NoneFormula:
C18H17O8NSmiles:
O=C([O-])c1ccc[n+]([C@@H]2O[C@H](COC(=O)c3ccc(O)cc3)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1ccc(O)cc1.O=C([O-])c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.33 | Num_heavy_atoms: | 27 |
| TPSA: | 140.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD16228
Formula: C6H5O2N
Smiles:
O=C([O-])c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.27 | NumAromaticRings: | 1 |
