Glycoside
GD156485
Name:
3,5,5-trimethyl-4-(3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butyl)cyclohex-2-en-1-oneFormula:
C25H42O12Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCC(C)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.6 | Num_heavy_atoms: | 37 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD06643
Formula: C13H22O2
Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
