Glycoside
GD005392
Name:
FIBLEUCINOSIDEFormula:
C26H30O11Smiles:
C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2[C@@H]2C=C[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)O2Aglycone:
CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2C2C=CC1(O)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD04587
Formula: C20H20O6
Smiles:
CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2C2C=CC1(O)C(=O)O2| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
