Glycoside
GD121203
Name:
NoneFormula:
C36H66O14Smiles:
CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
CCCCCCCCCC(O)CCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 27 |
| MolWt: | 722.91 | Num_heavy_atoms: | 50 |
| TPSA: | 221.9 | 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 |
AD48761
Formula: C22H44O3
Smiles:
CCCCCCCCCC(O)CCCCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 6.86 | Num_rotatable_bonds: | 20 |
| MolWt: | 356.59 | Num_heavy_atoms: | 25 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
