Glycoside
GD076663
Name:
2-[3-oxo-2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl)cyclopentyl]acetic acidFormula:
C18H28O9Smiles:
O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
O=C(O)CC1CCC(=O)C1CC=CCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 388.41 | Num_heavy_atoms: | 27 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD08439
Formula: C12H18O4
Smiles:
O=C(O)CC1CCC(=O)C1CC=CCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 226.27 | Num_heavy_atoms: | 16 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
