Glycoside
GD116325
Name:
[3,4,5-trihydroxy-6-(octanoyloxy)oxan-2-yl]methyl octanoateFormula:
C22H40O8Smiles:
CCCCCCCC(=O)OCC1OC(OC(=O)CCCCCCC)C(O)C(O)C1OAglycone:
CCCCCCCC(=O)O.CCCCCCCC(=O)OCSugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 15 |
| MolWt: | 432.55 | Num_heavy_atoms: | 30 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD01605
Formula: C9H18O2
Smiles:
CCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD04095
Formula: C8H16O2
Smiles:
CCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
