Glycoside
GD116168
Name:
2-{3-hydroxy-4-[3-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)oxiran-2-yl]butyl}heptacos-2-enoic acidFormula:
C41H76O11Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC=C(CCC(O)CC1OC1C(O)COC1OC(CO)C(O)C(O)C1O)C(=O)OAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC=C(CCC(O)CC1OC1C(O)CO)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 6.47 | Num_rotatable_bonds: | 34 |
| MolWt: | 745.05 | Num_heavy_atoms: | 52 |
| TPSA: | 189.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD46086
Formula: C35H66O6
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC=C(CCC(O)CC1OC1C(O)CO)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 8.64 | Num_rotatable_bonds: | 31 |
| MolWt: | 582.91 | Num_heavy_atoms: | 41 |
| TPSA: | 110.52 | NumAromaticRings: | 0 |
