Glycoside
GD080589
Name:
NoneFormula:
C16H23O10NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(OCC(=O)O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)COc1ccc(S(=O)(=O)NCCO)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 421.42 | Num_heavy_atoms: | 28 |
| TPSA: | 171.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD36449
Formula: C10H13O6NS
Smiles:
O=C(O)COc1ccc(S(=O)(=O)NCCO)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 275.28 | Num_heavy_atoms: | 18 |
| TPSA: | 112.93 | NumAromaticRings: | 1 |
