Glycoside
GD148572
Name:
4,5-bis(acetyloxy)-6-[7-hydroxy-5-methoxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-6-yl]oxan-3-yl acetateFormula:
C33H36O17Smiles:
COc1c(C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(O)cc2oc(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)cc(=O)c12Aglycone:
COc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 704.63 | Num_heavy_atoms: | 50 |
| TPSA: | 247.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD01046
Formula: C16H12O5
Smiles:
COc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
