Glycoside
GD139324
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acidFormula:
C22H24O11Smiles:
COc1ccc(C2CCc3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1OAglycone:
COc1ccc(C2CCc3c(O)cc(O)cc3O2)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD56181
Formula: C16H16O5
Smiles:
COc1ccc(C2CCc3c(O)cc(O)cc3O2)cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
