Glycoside
GD121019
Name:
7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-8,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadec-5-en-13-oneFormula:
C29H38O11Smiles:
CC1CC(O)C(O)C(OC2C=C3CC4OC45C(C(O)C(=O)C4(C)C(C6=CC(=O)OC6)CCC45O)C3(C)CC2O)O1Aglycone:
CC12CC(O)C(O)C=C1CC1OC13C2C(O)C(=O)C1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
CC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 562.61 | Num_heavy_atoms: | 40 |
| TPSA: | 175.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48673
Formula: C23H28O8
Smiles:
CC12CC(O)C(O)C=C1CC1OC13C2C(O)C(=O)C1(C)C(C2=CC(=O)OC2)CCC13O| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 432.47 | Num_heavy_atoms: | 31 |
| TPSA: | 136.82 | NumAromaticRings: | 0 |
