Glycoside
GD154323
Name:
3,5,5-trimethyl-4-{3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]butyl}cyclohex-2-en-1-oneFormula:
C25H42O11Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCC(C)OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 518.6 | Num_heavy_atoms: | 36 |
| TPSA: | 175.37 | 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 |
