Glycoside
GD128774
Name:
4-hydroxy-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:
C25H42O12Smiles:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.6 | Num_heavy_atoms: | 37 |
| 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 |
