Glycoside
GD071600
Name:
NoneFormula:
C14H27O9N2SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@H]1C[C@H]2CC[N@@H+]1CC2Aglycone:
COS(O)(O)O.NC(=O)C1CC2CC[NH+]1CC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.44 | Num_heavy_atoms: | 26 |
| TPSA: | 173.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD25566
Formula: C8H15ON2
Smiles:
NC(=O)C1CC2CC[NH+]1CC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.22 | Num_heavy_atoms: | 11 |
| TPSA: | 47.53 | NumAromaticRings: | 0 |
