Glycoside
GD122366
Name:
TetrahydroswertianolinFormula:
C20H24O11Smiles:
COc1cc(O)c2c(=O)c3c(oc2c1)C(O)CCC3OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)c3c(oc2c1)C(O)CCC3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.4 | Num_heavy_atoms: | 31 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD49300
Formula: C14H14O6
Smiles:
COc1cc(O)c2c(=O)c3c(oc2c1)C(O)CCC3O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.26 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
