Glycoside
GD118592
Name:
6,2'-Di-0-Acetyl-2-0-Octadecanoyl-Alpha,Alpha-D-TrehaloseFormula:
C34H60O14Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(CO)C(O)C(O)C2OC(C)=O)OC(COC(C)=O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(OC2OC(O)C(O)C(CO)O2)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 23 |
| MolWt: | 692.84 | Num_heavy_atoms: | 48 |
| TPSA: | 207.74 | 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 |
AD02455
Formula: C18H36O2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 284.48 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
