Glycoside
GD129726
Name:
ClarinosideFormula:
C25H30O12Smiles:
CC1OC(Oc2c3c(c(OC4OC(CO)C(O)C(O)C4O)c4ccccc24)C=COC3)C(O)C(O)C1OAglycone:
Oc1c2c(c(O)c3ccccc13)COC=C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD52555
Formula: C13H10O3
Smiles:
Oc1c2c(c(O)c3ccccc13)COC=C2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.22 | Num_heavy_atoms: | 16 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
