Glycoside
GD148842
Name:
16,17-dimethoxy-6-{1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propan-2-yl}-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0â´,â¸.0¹â´,¹â¹]henicosa-3,8,10,14(19),15,17-hexaen-12-oneFormula:
C34H42O16Smiles:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)O4Aglycone:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)CO)O4Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 706.69 | Num_heavy_atoms: | 50 |
| TPSA: | 221.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD59542
Formula: C23H24O7
Smiles:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)CO)O4| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.44 | Num_heavy_atoms: | 30 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
