Glycoside
GD024111
Name:
NoneFormula:
C26H30O12SSmiles:
O=C(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@@H]2O)[C@@H]1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(SC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.58 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
