Glycoside
GD138662
Name:
7,9,13-trimethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,19-dioneFormula:
C28H42O9Smiles:
CC1C(=O)OC2CC3C4CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C21Aglycone:
CC1C(=O)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD55948
Formula: C22H32O4
Smiles:
CC1C(=O)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C21| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.49 | Num_heavy_atoms: | 26 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
