Glycoside
GD003069
Name:
NoneFormula:
C20H21O11SSmiles:
O=S(=O)([O-])Oc1cc(C=Cc2ccc(O)cc2)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=S(=O)([O-])Oc1cc(O)cc(C=Cc2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.44 | Num_heavy_atoms: | 32 |
| TPSA: | 186.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD02830
Formula: C14H11O6S
Smiles:
O=S(=O)([O-])Oc1cc(O)cc(C=Cc2ccc(O)cc2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 307.3 | Num_heavy_atoms: | 21 |
| TPSA: | 106.89 | NumAromaticRings: | 2 |
