Glycoside
GD010495
Name:
SALVINICIN AFormula:
C25H36O12Smiles:
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]3(C)C[C@@H]([C@]4(O)[C@H](O)[C@H](OC)O[C@H]4OC)OC(=O)[C@H]3CC[C@@]12CAglycone:
COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OCCC12CSugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.55 | Num_heavy_atoms: | 37 |
| TPSA: | 164.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD02529
Formula: C19H26O7
Smiles:
COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OCCC12C| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.79 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 95.97 | NumAromaticRings: | 0 |
