Glycoside
GD132624
Name:
3-(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2-(2,3,4-trihydroxybutoxy)oxan-4-yl hexadecanoateFormula:
C30H54O12Smiles:
CCCCCCCCCCCCCCCC(=O)OC1C(O)C(COC(C)=O)OC(OCC(O)C(O)CO)C1OC(C)=OAglycone:
CCCCCCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(OCC(O)C(O)CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 23 |
| MolWt: | 606.75 | Num_heavy_atoms: | 42 |
| TPSA: | 178.28 | 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 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
