Glycoside
GD136250
Name:
2-[(4-hydroxypentan-2-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C17H32O12Smiles:
CC(O)CC(C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(O)CC(C)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -4.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 428.43 | Num_heavy_atoms: | 29 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD50748
Formula: C5H12O2
Smiles:
CC(O)CC(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.15 | Num_heavy_atoms: | 7 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
