Glycoside
GD143066
Name:
N-[5-({5-[(4-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-acetamido-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:
C45H76O34N2Smiles:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 7 |
| HBD: | 21 | FractionCSP3: | 0.96 |
| AlogP: | -12.64 | Num_rotatable_bonds: | 19 |
| MolWt: | 1189.08 | Num_heavy_atoms: | 81 |
| TPSA: | 569.54 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08916
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C1O