Glycoside
GD127166
Name:
N-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-{[2-({[3-acetamido-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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}-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)acetamideFormula:
C58H98O43N2Smiles:
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 45 | RingCount: | 9 |
| HBD: | 26 | FractionCSP3: | 0.97 |
| AlogP: | -15.58 | Num_rotatable_bonds: | 24 |
| MolWt: | 1511.39 | Num_heavy_atoms: | 103 |
| TPSA: | 707.61 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06738
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O