Glycoside
GD081253
Name:
NoneFormula:
C18H24O7N2SSmiles:
O=C(C(=O)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1sc(C2CC3CNCC3O2)nc1C1CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.46 | Num_heavy_atoms: | 28 |
| TPSA: | 140.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD36632
Formula: C12H16ON2S
Smiles:
c1sc(C2CC3CNCC3O2)nc1C1CC1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.34 | Num_heavy_atoms: | 16 |
| TPSA: | 34.15 | NumAromaticRings: | 1 |
