Glycoside
GD126053
Name:
4-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)but-3-en-2-oneFormula:
C25H40O12Smiles:
CC(=O)C=CC1=C(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)CC1(C)CAglycone:
CC(=O)C=CC1=C(C)CC(O)CC1(C)CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.58 | Num_heavy_atoms: | 37 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD47299
Formula: C13H20O2
Smiles:
CC(=O)C=CC1=C(C)CC(O)CC1(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 |
