Glycoside
GD067995
Name:
NoneFormula:
C15H17O8NSSmiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc2oc(=O)sc2c1Aglycone:
O=c1oc2ccc(O)cc2s1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.37 | Num_heavy_atoms: | 25 |
| TPSA: | 138.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD32240
Formula: C7H4O3S
Smiles:
O=c1oc2ccc(O)cc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.17 | Num_heavy_atoms: | 11 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
