Glycoside
GD115580
Name:
N-(5-{[3-acetamido-5-({4-[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-{[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-5-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)acetamideFormula:
C61H102O44N4Smiles:
CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(N=C(C)O)C5OC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(N=C(C)O)C5OC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 48 | RingCount: | 9 |
| HBD: | 27 | FractionCSP3: | 0.93 |
| AlogP: | -15.02 | Num_rotatable_bonds: | 27 |
| MolWt: | 1595.47 | Num_heavy_atoms: | 109 |
| TPSA: | 752.56 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD04654
CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(N=C(C)O)C5OC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O