Glycoside
GD064452
Name:
NoneFormula:
C15H20O6N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)CN(c1ccsc1)C2Aglycone:
O=CN1CC2(C1)CN(c1ccsc1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 356.4 | Num_heavy_atoms: | 24 |
| TPSA: | 113.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD31017
Formula: C10H12ON2S
Smiles:
O=CN1CC2(C1)CN(c1ccsc1)C2| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.29 | Num_heavy_atoms: | 14 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
