Glycoside
GD128558
Name:
NoneFormula:
C19H26O12Smiles:
COc1cc(C(=O)OCC2OC(OC(C)(C)C(=O)O)C(O)C(O)C2O)cc(OC)c1OAglycone:
CC(C)(O)C(=O)O.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD11383
Formula: C4H8O3
Smiles:
CC(C)(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
