Glycoside
GD120735
Name:
6-(5-{7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C28H30O18Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.53 | Num_heavy_atoms: | 46 |
| TPSA: | 288.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD03897
Formula: C16H14O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
