Glycoside
GD026512
Name:
NoneFormula:
C25H42O13N4SSmiles:
Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@H](N)[C@H]2O)cc1Aglycone:
COS(=O)(=O)c1ccc(C)cc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.76 |
| AlogP: | -5.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.69 | Num_heavy_atoms: | 43 |
| TPSA: | 305.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD01798
Formula: C8H10O3S
Smiles:
COS(=O)(=O)c1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
