Glycoside
GD142264
Name:
Rapulaside AFormula:
C33H46O19Smiles:
C=CC1C2CC(OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C(C(OC4OC(CO)C(O)C(O)C4O)OC=C2C(=O)OC)C3CC=O)C1CAglycone:
C=CC1C2CC(OC(=O)C3=COC(O)C(C(O)OC=C2C(=O)OC)C3CC=O)C1CSugarmoiety:
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: | 10 |
| MolWt: | 746.71 | Num_heavy_atoms: | 52 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD57260
Formula: C21H26O9
Smiles:
C=CC1C2CC(OC(=O)C3=COC(O)C(C(O)OC=C2C(=O)OC)C3CC=O)C1C| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
