Glycoside
GD026413
Name:
NEOSAKURANINFormula:
C22H24O10Smiles:
COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD17414
Formula: C16H14O5
Smiles:
COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
