Glycoside
GD066199
Name:
NoneFormula:
C15H21O7NSSmiles:
CSc1ccc(OCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1Aglycone:
CSc1ccc(OCCN)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 359.4 | Num_heavy_atoms: | 24 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD31749
Formula: C9H13ONS
Smiles:
CSc1ccc(OCCN)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 183.28 | Num_heavy_atoms: | 12 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
