Glycoside
GD118745
Name:
6-({2-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}oxy)-3-{[3-({6-carboxy-5-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C54H86O46Smiles:
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 46 | RingCount: | 9 |
| HBD: | 26 | FractionCSP3: | 0.94 |
| AlogP: | -17.27 | Num_rotatable_bonds: | 22 |
| MolWt: | 1471.24 | Num_heavy_atoms: | 100 |
| TPSA: | 734.1 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD05294
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O