Glycoside
GD098726
Name:
NoneFormula:
C21H31O9NSSmiles:
CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1Aglycone:
CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)NCCO)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 473.54 | Num_heavy_atoms: | 32 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD41997
Formula: C15H21O5NS
Smiles:
CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)NCCO)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 327.4 | Num_heavy_atoms: | 22 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
