Glycoside
GD127262
Name:
4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-oneFormula:
C27H32O12Smiles:
COc1cc(CC2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(OC2OC(CO)C(O)C(O)C2O)c1OCAglycone:
COc1cc(CC2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD51527
Formula: C21H22O7
Smiles:
COc1cc(CC2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(O)c1OC| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
