Glycoside
GD125553
Name:
6-[4'-hydroxy-7'-(2-hydroxypropan-2-yl)-2,4,4'a-trimethyl-octahydro-2'H-spiro[cyclobutane-1,1'-naphthalen]-8'-ylperoxy]-2-(hydroxymethyl)-2-methyloxane-3,4,5-triolFormula:
C26H46O9Smiles:
CC1CC(C)C12CCC(O)C1(C)CCC(C(C)(C)O)C(OOC3OC(C)(CO)C(O)C(O)C3O)C12Aglycone:
CC1CC(C)C12CCC(O)C1(C)CCC(C(C)(C)O)C(OO)C12Sugarmoiety:
CC1(CO)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.65 | Num_heavy_atoms: | 35 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD50782
Formula: C19H34O4
Smiles:
CC1CC(C)C12CCC(O)C1(C)CCC(C(C)(C)O)C(OO)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.48 | Num_heavy_atoms: | 23 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
