Glycoside
GD145772
Name:
N-{4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]phenyl}-2,2,2-trifluoroacetamideFormula:
C26H36O16NF3Smiles:
CC1OC(Oc2ccc(NC(=O)C(F)(F)F)cc2)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(Nc1ccc(O)cc1)C(F)(F)FSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 675.56 | Num_heavy_atoms: | 46 |
| TPSA: | 266.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD58390
Formula: C8H6O2NF3
Smiles:
O=C(Nc1ccc(O)cc1)C(F)(F)F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.13 | Num_heavy_atoms: | 14 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
