Glycoside
GD156542
Name:
4-(4-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-2,5-dihydrofuran-2-oneFormula:
C30H36O15Smiles:
COc1ccc(C2=CC(=O)OC2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 636.6 | Num_heavy_atoms: | 45 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD09408
Formula: C18H16O5
Smiles:
COc1ccc(C2=CC(=O)OC2Cc2ccc(O)cc2)c(O)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.32 | Num_heavy_atoms: | 23 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
