Glycoside
GD134234
Name:
6-{[5,8-dihydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methyl-decahydronaphthalen-1-yl]peroxy}-2-(hydroxymethyl)-2-methyloxane-3,4,5-triolFormula:
C22H40O11Smiles:
CC(C)(O)C1CCC2(CO)C(O)CCC(C)(O)C2C1OOC1OC(C)(CO)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC2(CO)C(O)CCC(C)(O)C2C1OOSugarmoiety:
CC1(CO)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.55 | Num_heavy_atoms: | 33 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD54305
Formula: C15H28O6
Smiles:
CC(C)(O)C1CCC2(CO)C(O)CCC(C)(O)C2C1OO| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.38 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
