Glycoside
GD138125
Name:
4-{[5-({5-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentolFormula:
C40H70O34Smiles:
OCC(O)C(O)C(OC1OC(CO)C(OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(COC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)COAglycone:
[empty]Sugarmoiety:
OCC(O)C(O)C(OC1OC(CO)C(OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(COC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 34 | RingCount: | 6 |
| HBD: | 22 | FractionCSP3: | 1.0 |
| AlogP: | -15.36 | Num_rotatable_bonds: | 21 |
| MolWt: | 1094.97 | Num_heavy_atoms: | 74 |
| TPSA: | 555.82 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08271
OCC(O)C(O)C(OC1OC(CO)C(OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(COC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CO