Glycoside
GD129098
Name:
2,3-dihydroxy-4,4,6,6-tetramethyl-2-(3-methylbutyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexan-1-oneFormula:
C21H38O9Smiles:
CC(C)CCC1(O)C(=O)C(C)(C)C(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1OAglycone:
CC(C)CCC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.53 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52286
Formula: C15H28O4
Smiles:
CC(C)CCC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.38 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
