Glycoside
GD119144
Name:
4,5-dihydroxy-3-methoxy-6-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-2-yl)methoxy]oxan-2-yl}methoxy)oxane-2-carboxylic acidFormula:
C25H42O22Smiles:
COC1C(C(=O)O)OC(OCC2OC(OCC3OC(OC4C(O)C(O)OC(CO)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OAglycone:
[empty]Sugarmoiety:
COC1C(C(=O)O)OC(OCC2OC(OCC3OC(OC4C(O)C(O)OC(CO)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -9.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 694.59 | Num_heavy_atoms: | 47 |
| TPSA: | 353.9 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD05381
COC1C(C(=O)O)OC(OCC2OC(OCC3OC(OC4C(O)C(O)OC(CO)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O