Glycoside
GD074522
Name:
NoneFormula:
C14H22O8N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)N2S(=O)(=O)C1CC1Aglycone:
O=CN1CC2CC(C1)N2S(=O)(=O)C1CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.4 | Num_heavy_atoms: | 25 |
| TPSA: | 147.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD34446
Formula: C9H14O3N2S
Smiles:
O=CN1CC2CC(C1)N2S(=O)(=O)C1CC1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.29 | Num_heavy_atoms: | 15 |
| TPSA: | 57.69 | NumAromaticRings: | 0 |
