Glycoside
GD121315
Name:
2-{[(6-{[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)methoxy]methyl}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)methoxy]methyl}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H50O21Smiles:
OCC1OC(COCC2C(CO)OC(COCC3C(CO)OC(OC4(CO)OC(CO)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
COCC1OC(CO)C(COC)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -9.17 | Num_rotatable_bonds: | 15 |
| MolWt: | 722.69 | Num_heavy_atoms: | 49 |
| TPSA: | 347.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48826
Formula: C10H20O6
Smiles:
COCC1OC(CO)C(COC)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 236.26 | Num_heavy_atoms: | 16 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
