Glycoside
GD074129
Name:
NoneFormula:
C15H21O9NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3c(c2)OCO3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc2c(c1)OCO2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.4 | Num_heavy_atoms: | 26 |
| TPSA: | 143.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD34260
Formula: C9H11O5NS
Smiles:
O=S(=O)(NCCO)c1ccc2c(c1)OCO2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 245.26 | Num_heavy_atoms: | 16 |
| TPSA: | 84.86 | NumAromaticRings: | 1 |
