Glycoside
GD097414
Name:
NoneFormula:
C22H23O9NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 477.49 | Num_heavy_atoms: | 33 |
| TPSA: | 159.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD41425
Formula: C16H13O5NS
Smiles:
O=C(NCCO)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.35 | Num_heavy_atoms: | 23 |
| TPSA: | 100.54 | NumAromaticRings: | 2 |
