Glycoside
GD127379
Name:
6-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)icosanoic acidFormula:
C28H52O9Smiles:
CCCCCCCCCCCCCCC(CCCCC(=O)O)OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCC(O)CCCCC(=O)O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 22 |
| MolWt: | 532.72 | Num_heavy_atoms: | 37 |
| TPSA: | 142.75 | 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 |
AD48616
Formula: C20H40O3
Smiles:
CCCCCCCCCCCCCCC(O)CCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 18 |
| MolWt: | 328.54 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
