Glycoside
GD133407
Name:
Hp_Dp02_0009Formula:
C12H19O19NS3Smiles:
O=C(O)C1=CC(O)C(OS(=O)(=O)O)C(OC2C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C2O)O1Aglycone:
COS(=O)(=O)O.NS(=O)(=O)O.O=C(O)C1=CC(O)C(OS(=O)(=O)O)C(O)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -5.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 577.47 | Num_heavy_atoms: | 35 |
| TPSA: | 319.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD00083
Formula: H3O3NS
Smiles:
NS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.09 | Num_heavy_atoms: | 5 |
| TPSA: | 80.39 | NumAromaticRings: | 0 |
AD02734
Formula: C6H8O9S
Smiles:
O=C(O)C1=CC(O)C(OS(=O)(=O)O)C(O)O1| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.19 | Num_heavy_atoms: | 16 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
