Glycoside
GD128760
Name:
6-[2-(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxyphenyl}ethenyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C26H28O16Smiles:
O=C(O)C1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3OC3OC(C(=O)O)C(O)C(O)C3O)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.49 | Num_heavy_atoms: | 42 |
| TPSA: | 273.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD03582
Formula: C14H12O4
Smiles:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
