Glycoside
GD137189
Name:
4-[(8-{[4-({4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl}oxy)-3,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy}-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl)oxy]-6-(methoxymethyl)oxane-2,3,5-triolFormula:
C26H42O19Smiles:
COCC1OC(O)C(O)C(OC2OC3COC(C2O)C3OC2OC(COC)C(O)C(OC3OC4COC(C4O)C3O)C2O)C1OAglycone:
OC1OC2COC(C1O)C2O.OC1OC2COC(C1O)C2OSugarmoiety:
COCC1OC(O)C(O)C(O)C1O.COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -6.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 658.6 | Num_heavy_atoms: | 45 |
| TPSA: | 263.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD02564
Formula: C6H10O5
Smiles:
OC1OC2COC(C1O)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
