Glycoside
GD144929
Name:
7-{5a,5b,8,8,9,11a,13b-heptamethyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,13aH,13bH-cyclopenta[a]chrysen-3-yl}-1,2,3-tris(acetyloxy)octan-4-yl acetateFormula:
C44H70O8Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21C)OC(C)=OAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21CSugarmoiety:
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: | 9.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 727.04 | Num_heavy_atoms: | 52 |
| TPSA: | 105.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD58203
Formula: C32H54
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 9.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 438.78 | Num_heavy_atoms: | 32 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
