Glycoside
GD132205
Name:
methyl 14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoateFormula:
C33H54O14Smiles:
C=CC(C)(CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)OC)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)OCSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 17 |
| MolWt: | 674.78 | Num_heavy_atoms: | 47 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD53519
Formula: C21H34O4
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
