Glycoside
GD008233
Name:
VERATRILOSIDEFormula:
C21H22O11Smiles:
COc1cc(O)c2c(=O)c3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3oc2c1OCAglycone:
COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 168.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD06601
Formula: C15H12O6
Smiles:
COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
