Glycoside
GD119078
Name:
6-[(2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}-5-hydroxy-6-methoxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C28H28O19Smiles:
COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)c(O)c3)cc(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 668.51 | Num_heavy_atoms: | 47 |
| TPSA: | 312.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD09185
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
