Glycoside
GD131947
Name:
7-{5a,5b,8,8,11a,13b-hexamethyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysen-3-yl}-1,2,3-tris(acetyloxy)octan-4-yl acetateFormula:
C43H68O8Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C=CC21C)OC(C)=OAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C=CC21CSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 9.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 713.01 | Num_heavy_atoms: | 51 |
| TPSA: | 105.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD47698
Formula: C31H52
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C=CC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 9.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 424.76 | Num_heavy_atoms: | 31 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
