Glycoside
GD151572
Name:
2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-6-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]oxane-3,4,5-triolFormula:
C22H38O11Smiles:
CC1=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)(C)CCC1Aglycone:
CC1=C(CO)C(C)(C)CCC1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.54 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD60437
Formula: C10H18O
Smiles:
CC1=C(CO)C(C)(C)CCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
