Glycoside
GD019843
Name:
7-{5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-1,2,3-tris(acetyloxy)octan-4-yl acetateFormula:
C43H70O8Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C)OC(C)=OAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(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: | 0.91 |
| AlogP: | 9.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 715.02 | Num_heavy_atoms: | 51 |
| TPSA: | 105.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD09499
Formula: C31H54
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 9.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 426.77 | Num_heavy_atoms: | 31 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
