Glycoside
GD139023
Name:
5-[({5-[(3,4-dimethoxyphenyl)methoxy]-3,4-dimethyloxolan-2-yl}oxy)methyl]-2H-1,3-benzodioxoleFormula:
C23H28O7Smiles:
COc1ccc(COC2OC(OCc3ccc4c(c3)OCO4)C(C)C2C)cc1OCAglycone:
COc1ccc(CO)cc1OC.OCc1ccc2c(c1)OCO2Sugarmoiety:
CC1C(O)OC(O)C1COther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.47 | Num_heavy_atoms: | 30 |
| TPSA: | 64.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD08645
Formula: C9H12O3
Smiles:
COc1ccc(CO)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
AD44892
Formula: C8H8O3
Smiles:
OCc1ccc2c(c1)OCO2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
