Glycoside
GD155604
Name:
[3,4,5-trihydroxy-6-(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)oxan-2-yl]methyl 3-methylbutanoateFormula:
C38H62O9Smiles:
CC1=C(CCC(C)COC2OC(COC(=O)CC(C)C)C(O)C(O)C2O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12Aglycone:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12.COC(=O)CC(C)CSugarmoiety:
OC1OC(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: | 662.9 | Num_heavy_atoms: | 47 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01663
Formula: C6H12O2
Smiles:
COC(=O)CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | 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 |
