Glycoside
GD119995
Name:
3,4,5-trihydroxyoxan-2-yl octadec-9-enoateFormula:
C23H42O6Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC1OCC(O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 16 |
| MolWt: | 414.58 | Num_heavy_atoms: | 29 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD03577
Formula: C18H34O2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 282.47 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
