Glycoside
GD118322
Name:
(3,4,5-trihydroxy-6-{[4-(4-hydroxyphenyl)butan-2-yl]oxy}oxan-2-yl)methyl 3,5-dimethoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoateFormula:
C31H42O15Smiles:
COc1cc(C(=O)OCC2OC(OC(C)CCc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OC1OC(C)C(O)C(O)C1OAglycone:
CC(O)CCc1ccc(O)cc1.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 654.66 | Num_heavy_atoms: | 46 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD04221
Formula: C10H14O2
Smiles:
CC(O)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
