Glycoside
GD122640
Name:
Peregrinumin AFormula:
C32H36O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(OC(C)=O)C5OC(C)=O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.62 | Num_heavy_atoms: | 48 |
| TPSA: | 230.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
