Glycoside
GD122175
Name:
Sibiraglucoside AFormula:
C27H34O11Smiles:
COc1ccc(C=CC(=O)OCC2OC(OCC=C3CC(C=C(C)C)OC3=O)C(O)C(O)C2O)cc1OCAglycone:
CC(C)=CC1CC(=CCO)C(=O)O1.COC(=O)C=Cc1ccc(OC)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 150.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD07423
Formula: C12H14O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
AD19324
Formula: C10H14O3
Smiles:
CC(C)=CC1CC(=CCO)C(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
