Glycoside
GD000259
Name:
EPI-FIBRAURETINOSIDE AFormula:
C26H32O12Smiles:
C[C@@]12[C@@H]3C[C@]4(O)C(=O)O[C@H](c5ccoc5)C[C@]4(C)[C@H]1CC=C[C@@]2(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)O3Aglycone:
CC12CC(c3ccoc3)OC(=O)C1(O)CC1OC(=O)C3(O)C=CCC2C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 185.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD00300
Formula: C20H22O7
Smiles:
CC12CC(c3ccoc3)OC(=O)C1(O)CC1OC(=O)C3(O)C=CCC2C13C| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
