Glycoside
GD036581
Name:
NoneFormula:
C25H26O12Smiles:
COc1ccc(-c2cc(=O)c3c(OC)c([C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1OCAglycone:
COc1cc(OC)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 174.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD16103
Formula: C19H18O6
Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.35 | Num_heavy_atoms: | 25 |
| TPSA: | 67.13 | NumAromaticRings: | 3 |
