Glycoside
GD157785
Name:
methyl 7-hydroxy-12-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-10-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2-(3-hydroxy-5-oxohexan-2-yl)-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecane-4-carboxylateFormula:
C42H72O16Smiles:
COC(=O)C1C(C)C(=O)C(C)(O)CC(C)C(OC2OC(C)CC(OC)C2O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(=O)OC(C(C)C(O)CC(C)=O)C1CAglycone:
COC(=O)C1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(O)CC(C)=O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 833.02 | Num_heavy_atoms: | 58 |
| TPSA: | 223.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD62347
Formula: C27H46O10
Smiles:
COC(=O)C1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(O)CC(C)=O)C1C| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.66 | Num_heavy_atoms: | 37 |
| TPSA: | 167.66 | NumAromaticRings: | 0 |
