Glycoside
GD126292
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-(hydroxymethyl)-3-methoxyoxan-4-yl acetateFormula:
C39H66O32Smiles:
COC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1OC(C)=OAglycone:
[empty]Sugarmoiety:
COC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 6 |
| HBD: | 18 | FractionCSP3: | 0.97 |
| AlogP: | -12.88 | Num_rotatable_bonds: | 18 |
| MolWt: | 1046.93 | Num_heavy_atoms: | 71 |
| TPSA: | 501.2 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06601
COC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1OC(C)=O