Glycoside
GD074512
Name:
NoneFormula:
C14H22O8N2SSmiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(C1)CN(S(=O)(=O)C1CC1)C2Aglycone:
O=CN1CC2(C1)CN(S(=O)(=O)C1CC1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | -3.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.4 | Num_heavy_atoms: | 25 |
| TPSA: | 147.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD34441
Formula: C9H14O3N2S
Smiles:
O=CN1CC2(C1)CN(S(=O)(=O)C1CC1)C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.29 | Num_heavy_atoms: | 15 |
| TPSA: | 57.69 | NumAromaticRings: | 0 |
