Glycoside
GD155885
Name:
6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H22O11Smiles:
Cc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
Cc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD61782
Formula: C16H14O5
Smiles:
Cc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
