Glycoside
GD145082
Name:
N-[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-(hexyloxy)oxan-3-yl]ethanimidic acidFormula:
C20H33O9NSmiles:
CCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1N=C(C)OAglycone:
CCCCCCO.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: | 0.8 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 431.48 | Num_heavy_atoms: | 30 |
| 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 |
AD00066
Formula: C6H14O
Smiles:
CCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
