Glycoside
GD033442
Name:
Baenzigeroside AFormula:
C26H32O11Smiles:
C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2C[C@@H]2COC(=O)[C@]21OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2CC2COC(=O)C21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD21342
Formula: C20H22O6
Smiles:
CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2CC2COC(=O)C21O| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
