Glycoside
GD123677
Name:
3,6,2'-Tri-0-Acetyl-2-0-Octadecanoyl-Alpha,Alpha-D-TrehaloseFormula:
C36H62O15Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(CO)C(O)C(O)C2OC(C)=O)OC(COC(C)=O)C(O)C1OC(C)=OAglycone:
CCCCCCCCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(OC2OC(O)C(O)C(CO)O2)C(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 24 |
| MolWt: | 734.88 | Num_heavy_atoms: | 51 |
| TPSA: | 213.81 | 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 |
