Glycoside
GD073949
Name:
NoneFormula:
C14H26O9NSSmiles:
O=C1C[C@@H]2CC([NH2+][C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)C[C@H]2C1Aglycone:
COS(O)(O)O.[NH3+]C1CC2CC(=O)CC2C1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.43 | Num_heavy_atoms: | 25 |
| TPSA: | 173.52 | 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 |
AD26575
Formula: C8H14ON
Smiles:
[NH3+]C1CC2CC(=O)CC2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 140.21 | Num_heavy_atoms: | 10 |
| TPSA: | 44.71 | NumAromaticRings: | 0 |
