Glycoside
GD126572
Name:
3-[(5-{[4-({4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylic acidFormula:
C36H58O33Smiles:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(O)C4O)C3O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(O)C4O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 6 |
| HBD: | 20 | FractionCSP3: | 0.94 |
| AlogP: | -13.92 | Num_rotatable_bonds: | 16 |
| MolWt: | 1018.83 | Num_heavy_atoms: | 69 |
| TPSA: | 540.27 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06645
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(O)C4O)C3O)C2O)C(O)C(O)C1O