Glycoside
GD127687
Name:
N-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-{[2-({[5-({4-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-acetamido-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,5-dihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C72H121O53N3Smiles:
CC(O)=NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5N=C(C)O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5N=C(C)O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 56 | RingCount: | 11 |
| HBD: | 32 | FractionCSP3: | 0.96 |
| AlogP: | -18.94 | Num_rotatable_bonds: | 31 |
| MolWt: | 1876.73 | Num_heavy_atoms: | 128 |
| TPSA: | 878.27 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06818
CC(O)=NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5N=C(C)O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O