Glycoside
GD134806
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-(octyloxy)oxan-2-yl]methyl acetateFormula:
C22H37O9NSmiles:
CCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1N=C(C)OAglycone:
CCCCCCCCO.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 13 |
| MolWt: | 459.54 | Num_heavy_atoms: | 32 |
| TPSA: | 129.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
