Glycoside
GD119113
Name:
7,9,13,18-tetramethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-6-en-16-oneFormula:
C39H62O13Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OCC(O)C(O)C5O)C5(C)CC(=O)CCC5(C)C4CCC3(C)C12Aglycone:
CC1=C(CCC(C)CO)OC2CC3C4CC(O)C5(C)CC(=O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47681
Formula: C28H44O4
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CC(O)C5(C)CC(=O)CCC5(C)C4CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
