Glycoside
GD137776
Name:
2-(3-benzoyl-2,4-dihydroxy-5-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O14Smiles:
Cc1c(O)c(C(=O)c2ccccc2)c(O)c(C2OC(CO)C(O)C(O)C2O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 247.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00705
Formula: C14H12O4
Smiles:
Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
