Glycoside
GD118438
Name:
4,5-dihydroxy-6-[(6-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C28H30O16Smiles:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c1OAglycone:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.53 | Num_heavy_atoms: | 44 |
| TPSA: | 255.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD47355
Formula: C16H12O5
Smiles:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
