Glycoside
GD134321
Name:
3-({6-carboxy-5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C35H38O25Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(OC5OC(C(=O)O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(O)C5O)C(O)C4O)cc3o2)cc(OC)c1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OSugarmoiety:
O=C(O)C1OC(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.49 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 858.66 | Num_heavy_atoms: | 60 |
| TPSA: | 398.02 | 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 |
