Glycoside
GD000811
Name:
NoneFormula:
C22H22O19N2S4Smiles:
O=C(CN(Cc1ccccc1)C(=O)C1OC(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C1OS(=O)(=O)[O-])NCc1ccccc1Aglycone:
O=CN(CC(=O)NCc1ccccc1)Cc1ccccc1.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 15 |
| MolWt: | 746.68 | Num_heavy_atoms: | 47 |
| TPSA: | 324.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
AD00849
Formula: C17H18O2N2
Smiles:
O=CN(CC(=O)NCc1ccccc1)Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 282.34 | Num_heavy_atoms: | 21 |
| TPSA: | 49.41 | NumAromaticRings: | 2 |
