Glycoside
GD134558
Name:
18-hydroxy-N-[2-(5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]nonadecanamideFormula:
C41H68O13N2Smiles:
CC(O)CCCCCCCCCCCCCCCCC(O)=NCCc1c[nH]c2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc12Aglycone:
CC(O)CCCCCCCCCCCCCCCCC(O)=NCCc1c[nH]c2ccc(O)cc12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.78 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 26 |
| MolWt: | 797.0 | Num_heavy_atoms: | 56 |
| TPSA: | 247.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD54436
Formula: C29H48O3N2
Smiles:
CC(O)CCCCCCCCCCCCCCCCC(O)=NCCc1c[nH]c2ccc(O)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 7.99 | Num_rotatable_bonds: | 20 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 88.84 | NumAromaticRings: | 2 |
