Glycoside
GD120957
Name:
N-(2-{[2-({[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxy-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)acetamideFormula:
C46H78O35N2Smiles:
CC(O)=NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)OC(OC(C(O)CO)C(O)C(O)C=O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)OC(OC(C(O)CO)C(O)C(O)C=O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 6 |
| HBD: | 22 | FractionCSP3: | 0.93 |
| AlogP: | -13.09 | Num_rotatable_bonds: | 24 |
| MolWt: | 1219.11 | Num_heavy_atoms: | 83 |
| TPSA: | 597.61 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD05718
CC(O)=NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)OC(OC(C(O)CO)C(O)C(O)C=O)C1O