Glycoside
GD071670
Name:
NoneFormula:
C17H25O6N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)[N@@H+]2CCc1cccs1Aglycone:
O=CN1CC2CC(C1)[NH+]2CCc1cccs1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.46 | Num_heavy_atoms: | 26 |
| TPSA: | 114.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD33661
Formula: C12H17ON2S
Smiles:
O=CN1CC2CC(C1)[NH+]2CCc1cccs1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 237.35 | Num_heavy_atoms: | 16 |
| TPSA: | 24.75 | NumAromaticRings: | 1 |
