Glycoside
GD133629
Name:
2-acetamido-N'-(3-acetamido-5-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)butanediamideFormula:
C28H47O18N5Smiles:
CC(O)=NC(CC(O)=NC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)C(O)C1N=C(C)O)C(=N)OAglycone:
CC(O)=NC(CC(O)=NC1OC(CO)C(O)C(O)C1N=C(C)O)C(=N)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.82 |
| AlogP: | -4.37 | Num_rotatable_bonds: | 14 |
| MolWt: | 741.7 | Num_heavy_atoms: | 51 |
| TPSA: | 382.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD54076
Formula: C14H24O8N4
Smiles:
CC(O)=NC(CC(O)=NC1OC(CO)C(O)C(O)C1N=C(C)O)C(=N)O| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.37 | Num_heavy_atoms: | 26 |
| TPSA: | 211.77 | NumAromaticRings: | 0 |
