Glycoside
GD001932
Name:
SWERTIANOLINFormula:
C20H20O11Smiles:
COc1cc(O)c2c(=O)c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD01878
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
