Glycoside
GD155933
Name:
3-(hydroxymethyl)-2,4,4-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-2,5-dien-1-oneFormula:
C16H24O8Smiles:
CC1=C(CO)C(C)(C)C=C(OC2OC(CO)C(O)C(O)C2O)C1=OAglycone:
CC1=C(CO)C(C)(C)C=C(O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD61795
Formula: C10H14O3
Smiles:
CC1=C(CO)C(C)(C)C=C(O)C1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
