Glycoside
GD110204
Name:
Acovenoside BFormula:
C32H48O10Smiles:
CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](OC(C)=O)C2)[C@H]1OAglycone:
CC(=O)OC1CC(O)CC2CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C21CSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 592.73 | Num_heavy_atoms: | 42 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD12465
Formula: C25H36O6
Smiles:
CC(=O)OC1CC(O)CC2CCC3C(CCC4(C)C(C5=CC(=O)OC5)CCC34O)C21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
