Glycoside
GD130679
Name:
1-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-7-(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1â´,â·]tetradecane-5,6,11,12-tetrolFormula:
C18H30O15Smiles:
OCC1OC(CO)(OCC23OCC4OC(CO)(OCC(O2)C(O)C3O)C(O)C4O)C(O)C1OAglycone:
OCC12OCC3OC(CO)(OCC(O1)C(O)C2O)C(O)C3OSugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -6.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.42 | Num_heavy_atoms: | 33 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD52953
Formula: C12H20O10
Smiles:
OCC12OCC3OC(CO)(OCC(O1)C(O)C2O)C(O)C3O| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -4.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 324.28 | Num_heavy_atoms: | 22 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
