Glycoside
GD091889
Name:
NoneFormula:
C19H29O8NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC1(C)CCc2cc(S(=O)(=O)NCCO)ccc2O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.51 | Num_heavy_atoms: | 29 |
| TPSA: | 134.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD40079
Formula: C13H19O4NS
Smiles:
CC1(C)CCc2cc(S(=O)(=O)NCCO)ccc2O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.37 | Num_heavy_atoms: | 19 |
| TPSA: | 75.63 | NumAromaticRings: | 1 |
