Glycoside
GD128727
Name:
4-(3-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-oneFormula:
C24H38O11Smiles:
CC(=O)C=CC1=C(C)C(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)CCC1(C)CAglycone:
CC(=O)C=CC1=C(C)C(O)CCC1(C)CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 502.56 | Num_heavy_atoms: | 35 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD52141
Formula: C13H20O2
Smiles:
CC(=O)C=CC1=C(C)C(O)CCC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
