Glycoside
GD026856
Name:
Aturanoside BFormula:
C23H24O9Smiles:
CCCc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)c1c(O)cc(O)cc1C2=OAglycone:
CCCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.44 | Num_heavy_atoms: | 32 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD17681
Formula: C17H14O5
Smiles:
CCCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
