Glycoside
GD137464
Name:
6-{[12-(acetyloxy)-4-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-14-(3-hydroxybutan-2-yl)-9-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl]oxy}-5-methoxy-2,4-dimethyloxan-3-yl acetateFormula:
C42H72O16Smiles:
COC1C(OC2C(C)CC(C)(OC)C(=O)C(C)C(OC(C)=O)C(C)C(C(C)C(C)O)OC(=O)C(C)C(OC3OC(C)CC(O)C3O)C2C)OC(C)C(OC(C)=O)C1CAglycone:
COC1(C)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)O)C(C)C(OC(C)=O)C(C)C1=OSugarmoiety:
CC1CC(O)C(O)C(O)O1.COC1C(O)OC(C)C(OC(C)=O)C1COther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 833.02 | Num_heavy_atoms: | 58 |
| TPSA: | 212.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD55532
Formula: C26H46O9
Smiles:
COC1(C)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)O)C(C)C(OC(C)=O)C(C)C1=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 502.65 | Num_heavy_atoms: | 35 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
