Glycoside
GD035834
Name:
(11s,12r)-piericidin c1 10-o-beta-d-glucosideFormula:
C31H47O10NSmiles:
COc1nc(CC=C(C)CC=CC(C)=C[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]2(C)O[C@H]2C)c(C)c(O)c1OCAglycone:
COc1nc(CC=C(C)CC=CC(C)=CC(C)C(O)C2(C)OC2C)c(C)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 13 |
| MolWt: | 593.71 | Num_heavy_atoms: | 42 |
| TPSA: | 163.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD22648
Formula: C25H37O5N
Smiles:
COc1nc(CC=C(C)CC=CC(C)=CC(C)C(O)C2(C)OC2C)c(C)c(O)c1OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 431.57 | Num_heavy_atoms: | 31 |
| TPSA: | 84.34 | NumAromaticRings: | 1 |
