Glycoside
GD118150
Name:
12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7,10-dihydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoateFormula:
C42H74O17Smiles:
COC1C(OCC(C)C2OC(=O)C(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)C(O)C(C)CC(C)(O)C(=O)C(C)C(OC(=O)C(O)C(C)C)C2C)OC(C)C(O)C1OCAglycone:
CC(C)C(O)C(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)CO)C1CSugarmoiety:
CC1OC(O)CC(C)(O)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 851.04 | Num_heavy_atoms: | 59 |
| TPSA: | 246.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD47211
Formula: C27H48O10
Smiles:
CC(C)C(O)C(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)CO)C1C| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 532.67 | Num_heavy_atoms: | 37 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
