Glycoside
GD118612
Name:
14-hydroxy-7,7,12,16-tetramethyl-15-(2,5,6-trihydroxy-6-methylheptan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-13-yl acetateFormula:
C37H62O11Smiles:
CC(=O)OC1C(O)C(C(C)(O)CCC(O)C(C)(C)O)C2(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C12CAglycone:
CC(=O)OC1C(O)C(C(C)(O)CCC(O)C(C)(C)O)C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 682.89 | Num_heavy_atoms: | 48 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD47444
Formula: C32H54O7
Smiles:
CC(=O)OC1C(O)C(C(C)(O)CCC(O)C(C)(C)O)C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.78 | Num_heavy_atoms: | 39 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
