Glycoside
GD018600
Name:
NoneFormula:
C11H13O7NSSmiles:
O=C(NC1OC(C(=O)O)C(O)C(O)C1O)c1cccs1Aglycone:
NC(=O)c1cccs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.29 | Num_heavy_atoms: | 20 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD10017
Formula: C5H5ONS
Smiles:
NC(=O)c1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.17 | Num_heavy_atoms: | 8 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
