Glycoside
GD088441
Name:
NoneFormula:
C18H28O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C(=O)NCCO)N(c1ccccc1)S(C)(=O)=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.5 | Num_heavy_atoms: | 29 |
| TPSA: | 145.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD38687
Formula: C12H18O4N2S
Smiles:
CC(C(=O)NCCO)N(c1ccccc1)S(C)(=O)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.35 | Num_heavy_atoms: | 19 |
| TPSA: | 86.71 | NumAromaticRings: | 1 |
