Glycoside
GD016045
Name:
NoneFormula:
C15H22O9Smiles:
OC[C@@H]1O[C@H](OCCCc2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCCCc1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 160.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD11595
Formula: C9H12O4
Smiles:
OCCCc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
