Glycoside
GD127870
Name:
[5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-{[5,8-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetateFormula:
C32H36O18Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(COC(C)=O)C(O)C(O)C4O)c(O)c3o2)cc1Aglycone:
COC(C)=O.COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.62 | Num_heavy_atoms: | 50 |
| TPSA: | 270.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD51377
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
