Glycoside
GD075180
Name:
NoneFormula:
C16H20O7N2SSmiles:
O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@@H]2C[C@H](C1)N2C(=O)c1ccsc1Aglycone:
O=CN1CC2CC(C1)N2C(=O)c1ccsc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.41 | Num_heavy_atoms: | 26 |
| TPSA: | 130.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD34823
Formula: C11H12O2N2S
Smiles:
O=CN1CC2CC(C1)N2C(=O)c1ccsc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.3 | Num_heavy_atoms: | 16 |
| TPSA: | 40.62 | NumAromaticRings: | 1 |
