Glycoside
GD144786
Name:
3,5-dihydroxy-2-(4-{16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-6-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxan-4-yl 3-methylbutanoateFormula:
C38H62O9Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(OC(=O)CC(C)C)C2O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12Aglycone:
CC(C)CC(=O)O.CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 5.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 662.91 | Num_heavy_atoms: | 47 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD16454
Formula: C27H44O3
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
