Glycoside
GD132982
Name:
3-((6-(((3,5-Dihydroxy-6-(Hydroxymethyl)-4-(Palmitoyloxy)Tetrahydro-2H-Pyran-2-Yl)Oxy)Methyl)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl)Oxy)-2-(Palmitoyloxy)Propyl OleateFormula:
C65H120O16Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 12.63 | Num_rotatable_bonds: | 54 |
| MolWt: | 1157.66 | Num_heavy_atoms: | 81 |
| TPSA: | 237.2 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD05835
Formula: C37H70O5
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 10.95 | Num_rotatable_bonds: | 33 |
| MolWt: | 594.96 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
