Glycoside
GD128310
Name:
7-hydroxy-12-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-10-[(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-2-(3-oxobutan-2-yl)-1-oxacyclotetradecan-4-yl acetateFormula:
C40H68O15Smiles:
COC1CC(C)OC(OC2C(C)CC(C)(O)C(=O)C(C)C(OC(C)=O)C(C)C(C(C)C(C)=O)OC(=O)C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C2C)C1OAglycone:
CC(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)=O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 788.97 | Num_heavy_atoms: | 55 |
| TPSA: | 202.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD47705
Formula: C25H42O9
Smiles:
CC(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)=O)C1C| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.6 | Num_heavy_atoms: | 34 |
| TPSA: | 147.43 | NumAromaticRings: | 0 |
