Glycoside
GD157580
Name:
4,5-bis(acetyloxy)-6-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}oxan-3-yl acetateFormula:
C30H36O13Smiles:
CC(=O)OC1COC(OC(CCc2ccc(O)c(O)c2)CC(=O)CCc2ccc(O)c(O)c2)C(OC(C)=O)C1OC(C)=OAglycone:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 604.61 | Num_heavy_atoms: | 43 |
| TPSA: | 195.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD02197
Formula: C19H22O6
Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
