Glycoside
GD114470
Name:
N-[5-({5-[(4-{[3,5-bis({[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[3-acetamido-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}-3-hydroxyoxan-2-yl)oxy]-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideFormula:
C66H110O46N6Smiles:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5N=C(C)O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)C(O)C2N=C(C)O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5N=C(C)O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 52 | RingCount: | 9 |
| HBD: | 29 | FractionCSP3: | 0.91 |
| AlogP: | -14.72 | Num_rotatable_bonds: | 31 |
| MolWt: | 1723.6 | Num_heavy_atoms: | 118 |
| TPSA: | 817.74 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD04379
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5N=C(C)O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)C(O)C2N=C(C)O)C1O