Glycoside
GD138772
Name:
N-(2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]amino}-4-acetamidophenyl)acetamideFormula:
C22H33O12N3Smiles:
CC(O)=Nc1ccc(N=C(C)O)c(NC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c1Aglycone:
CC(O)=Nc1ccc(N=C(C)O)c(N)c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.52 | Num_heavy_atoms: | 37 |
| TPSA: | 246.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD49432
Formula: C10H13O2N3
Smiles:
CC(O)=Nc1ccc(N=C(C)O)c(N)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 91.2 | NumAromaticRings: | 1 |
