Glycoside
GD134053
Name:
2,5-dihydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-en-1-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexan-1-oneFormula:
C20H34O9Smiles:
CC(C)=CC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CC1(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: | 0.85 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.48 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54234
Formula: C14H24O4
Smiles:
CC(C)=CC1(O)C(=O)C(C)(C)C(O)C(C)(C)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.34 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
