Glycoside
GD143499
Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C29H30O19Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc(OC)c1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.41 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 682.54 | Num_heavy_atoms: | 48 |
| TPSA: | 301.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD08658
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
