Glycoside
GD119912
Name:
12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 3-methylbutanoateFormula:
C48H82O19Smiles:
COC1C(OCC(C)C2OC(=O)C(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)C(OC3OC(C)CC(=O)C3O)C(C)CC(C)(O)C(=O)C(C)C(OC(=O)CC(C)C)C2C)OC(C)C(O)C1OCAglycone:
CC(C)CC(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(OC2OC(C)CC(=O)C2O)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: | 19 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 963.17 | Num_heavy_atoms: | 67 |
| TPSA: | 261.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD48121
Formula: C33H56O12
Smiles:
CC(C)CC(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(OC2OC(C)CC(=O)C2O)C(C)C(O)C(C)C(=O)OC(C(C)CO)C1C| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 644.8 | Num_heavy_atoms: | 45 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
