Glycoside
GD007567
Name:
PHYLLANTHOSTATIN AFormula:
C29H30O13Smiles:
COc1cc2cc(COC(C)=O)c(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc4c(c3)OCO4)c2cc1OCAglycone:
COc1cc2cc(COC(C)=O)c(C(=O)O)c(-c3ccc4c(c3)OCO4)c2cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.55 | Num_heavy_atoms: | 42 |
| TPSA: | 179.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD06143
Formula: C23H20O8
Smiles:
COc1cc2cc(COC(C)=O)c(C(=O)O)c(-c3ccc4c(c3)OCO4)c2cc1OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.41 | Num_heavy_atoms: | 31 |
| TPSA: | 100.52 | NumAromaticRings: | 3 |
