Glycoside
GD151066
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy}-5-{[3-(2,3-dihydroxy-2-methylpropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)oxane-3,4-diolFormula:
C31H56O22Smiles:
COC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCC(C)(O)CO)C(O)C1OAglycone:
CC(O)(CO)COSugarmoiety:
COC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -7.6 | Num_rotatable_bonds: | 16 |
| MolWt: | 780.77 | Num_heavy_atoms: | 53 |
| TPSA: | 335.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD60289
Formula: C4H10O3
Smiles:
CC(O)(CO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 106.12 | Num_heavy_atoms: | 7 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |