Glycoside
GD134350
Name:
Corniculatusin 3-RobinobiosideFormula:
C28H32O17Smiles:
COc1c(O)cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc12Aglycone:
COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.55 | Num_heavy_atoms: | 45 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD04282
Formula: C16H12O8
Smiles:
COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
