Glycoside
GD146648
Name:
2,6,6,10-tetramethyl-3-{[3,4,4-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-7-oneFormula:
C36H60O10Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(=O)C(C)(C)C2CC(OC2OC(CO)CC(O)(O)C2O)C13CAglycone:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(=O)C(C)(C)C2CC(O)C13CSugarmoiety:
OCC1CC(O)(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD00846
Formula: C30H50O5
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1CCC23CC12CCC1C2(C)CCC(=O)C(C)(C)C2CC(O)C13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
