Glycoside
GD022298
Name:
NoneFormula:
C11H16O7N2SSmiles:
O=c1[nH]c(=O)n(O[C@@H]2CC(O)[C@H](CO)O2)cc1SCCOAglycone:
O=c1[nH]c(=O)n(O)cc1SCCOSugarmoiety:
OCC1OC(O)CC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 320.32 | Num_heavy_atoms: | 21 |
| TPSA: | 134.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD15137
Formula: C6H8O4N2S
Smiles:
O=c1[nH]c(=O)n(O)cc1SCCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.21 | Num_heavy_atoms: | 13 |
| TPSA: | 95.32 | NumAromaticRings: | 1 |
