Glycoside
GD151034
Name:
4-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}butyl)-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-oneFormula:
C24H40O12Smiles:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.57 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD04879
Formula: C13H22O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
