Glycoside
GD152986
Name:
2-(1-hydroperoxy-2,4b,8,8-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl)-2-hydroxyethyl acetateFormula:
C28H46O11Smiles:
CC(=O)OCC(O)C1(C)CCC2C(=CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC23C)C1OOAglycone:
CC(=O)OCC(O)C1(C)CCC2C(=CCC3C(C)(C)C(O)CCC23C)C1OOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.67 | Num_heavy_atoms: | 39 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD60872
Formula: C22H36O6
Smiles:
CC(=O)OCC(O)C1(C)CCC2C(=CCC3C(C)(C)C(O)CCC23C)C1OO| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.52 | Num_heavy_atoms: | 28 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
