Glycoside
GD142341
Name:
4-[(8-{[3,5-dihydroxy-4-({8-hydroxy-4-methoxy-2,6-dioxabicyclo[3.2.1]octan-3-yl}oxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-4-methoxy-2,6-dioxabicyclo[3.2.1]octan-3-yl)oxy]-6-(hydroxymethyl)oxane-2,3,5-triolFormula:
C26H42O19Smiles:
COC1C(OC2C(O)C(CO)OC(OC3C4COC3C(OC)C(OC3C(O)C(O)OC(CO)C3O)O4)C2O)OC2COC1C2OAglycone:
COC1C(O)OC2COC1C2O.COC1C(O)OC2COC1C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(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
AD52812
Formula: C7H12O5
Smiles:
COC1C(O)OC2COC1C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
