Glycoside
GD124787
Name:
CantleyosideFormula:
C33H46O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 746.71 | Num_heavy_atoms: | 52 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD44121
Formula: C21H26O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
