Glycoside
GD152051
Name:
Polygonimitin BFormula:
C21H22O9Smiles:
Cc1cc2oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3c(=O)c2cc1CAglycone:
Cc1cc2oc3cc(O)cc(O)c3c(=O)c2cc1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD60575
Formula: C15H12O4
Smiles:
Cc1cc2oc3cc(O)cc(O)c3c(=O)c2cc1C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
