Glycoside
GD079469
Name:
NoneFormula:
C16H26O10NSSmiles:
COc1cccc2c1C[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)CO2Aglycone:
COS(O)(O)O.COc1cccc2c1CC([NH3+])CO2Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.45 | Num_heavy_atoms: | 28 |
| TPSA: | 174.91 | NumAromaticRings: | 1 |
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 |
AD27447
Formula: C10H14O2N
Smiles:
COc1cccc2c1CC([NH3+])CO2| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.23 | Num_heavy_atoms: | 13 |
| TPSA: | 46.1 | NumAromaticRings: | 1 |
