Glycoside
GD055152
Name:
NoneFormula:
C13H19O7NSSmiles:
O=C(C(=O)N(CCO)Cc1cccs1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
OCCNCc1cccs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 333.36 | Num_heavy_atoms: | 22 |
| TPSA: | 138.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD27982
Formula: C7H11ONS
Smiles:
OCCNCc1cccs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 157.24 | Num_heavy_atoms: | 10 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
