Glycoside
GD080480
Name:
NoneFormula:
C16H23O10NSSmiles:
COc1ccc(S(=O)(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1C(=O)OAglycone:
COc1ccc(S(=O)(=O)NCCO)cc1C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.42 | Num_heavy_atoms: | 28 |
| TPSA: | 171.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD36439
Formula: C10H13O6NS
Smiles:
COc1ccc(S(=O)(=O)NCCO)cc1C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.28 | Num_heavy_atoms: | 18 |
| TPSA: | 112.93 | NumAromaticRings: | 1 |
