Glycoside
GD117561
Name:
9-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-1,14-dihydroxy-5-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-2,4,8,10,12,14-hexamethyl-7-oxo-6,15-dioxabicyclo[9.3.1]pentadecan-3-yl 2-hydroxy-3-methylbutanoateFormula:
C42H74O17Smiles:
COC1C(OCC(C)C2OC(=O)C(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)C3OC(O)(C(C)C(OC(=O)C(O)C(C)C)C2C)C(C)(O)CC3C)OC(C)C(O)C1OCAglycone:
CC(C)C(O)C(=O)OC1C(C)C(C(C)CO)OC(=O)C(C)C(O)C(C)C2OC(O)(C1C)C(C)(O)CC2CSugarmoiety:
CC1OC(O)CC(C)(O)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 851.04 | Num_heavy_atoms: | 59 |
| TPSA: | 238.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD46885
Formula: C27H48O10
Smiles:
CC(C)C(O)C(=O)OC1C(C)C(C(C)CO)OC(=O)C(C)C(O)C(C)C2OC(O)(C1C)C(C)(O)CC2C| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 532.67 | Num_heavy_atoms: | 37 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
