Glycoside
GD144262
Name:
16-phytanol; 1-(3-β-d-glucopyranosyloxy-4,5-dihydroxybenzoyl) esterFormula:
C33H56O10Smiles:
CCC(C)CCCC(C)CCCC(C)CCCC(C)COC(=O)c1cc(O)c(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
CCC(C)CCCC(C)CCCC(C)CCCC(C)COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 19 |
| MolWt: | 612.8 | Num_heavy_atoms: | 43 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD57993
Formula: C27H46O5
Smiles:
CCC(C)CCCC(C)CCCC(C)CCCC(C)COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 7.43 | Num_rotatable_bonds: | 16 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
