Glycoside
GD117503
Name:
N-(2-{[5-(carboxyamino)-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-[(6-{[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxyoxan-2-yl)oxy]methyl}-4-[(3-{[3-({4-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acidFormula:
C87H146O72N2Smiles:
CC(O)=NC1C(OC2C(CO)OC(O)C(NC(=O)O)C2O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C3O)C2O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(O)C(NC(=O)O)C2O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 74 | RingCount: | 14 |
| HBD: | 45 | FractionCSP3: | 0.98 |
| AlogP: | -30.25 | Num_rotatable_bonds: | 42 |
| MolWt: | 2372.07 | Num_heavy_atoms: | 161 |
| TPSA: | 1180.79 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD05064
CC(O)=NC1C(OC2C(CO)OC(O)C(NC(=O)O)C2O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C3O)C2O)C1O