Glycoside
GD147549
Name:
6-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9,13-dimethyl-17-oxo-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[11.3.1.0¹,¹â°.0â´,â¹]heptadecan-5-yl acetateFormula:
C38H56O14Smiles:
COC1CC(OC2CCC3(C)C(CCC45CCC(C6=CC(=O)OC6)C(C)(CCC43)C5=O)C2OC(C)=O)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1C(O)CCC2(C)C1CCC13CCC(C4=CC(=O)OC4)C(C)(CCC12)C3=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.85 | Num_heavy_atoms: | 52 |
| TPSA: | 196.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD59086
Formula: C25H34O6
Smiles:
CC(=O)OC1C(O)CCC2(C)C1CCC13CCC(C4=CC(=O)OC4)C(C)(CCC12)C3=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.54 | Num_heavy_atoms: | 31 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
