Glycoside
GD123848
Name:
2-[2-(pent-2-en-1-yl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopentyl]acetic acidFormula:
C18H30O8Smiles:
CCC=CCC1C(CC(=O)O)CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC1C(O)CCC1CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.43 | Num_heavy_atoms: | 26 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50000
Formula: C12H20O3
Smiles:
CCC=CCC1C(O)CCC1CC(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 212.29 | Num_heavy_atoms: | 15 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
