Glycoside
GD130473
Name:
3,4,5-trihydroxy-6-(5-hydroxy-2-{2-[3-hydroxy-5-(sulfooxy)phenyl]ethenyl}phenoxy)oxane-2-carboxylic acidFormula:
C20H20O13SSmiles:
O=C(O)C1OC(Oc2cc(O)ccc2C=Cc2cc(O)cc(OS(=O)(=O)O)c2)C(O)C(O)C1OAglycone:
O=S(=O)(O)Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 500.43 | Num_heavy_atoms: | 34 |
| TPSA: | 220.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD52877
Formula: C14H12O7S
Smiles:
O=S(=O)(O)Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.31 | Num_heavy_atoms: | 22 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
