Glycoside
GD134950
Name:
Cilistol TFormula:
C34H54O10Smiles:
CC(C1CC2(C)OC2(C)C(OC2OC(CO)C(O)C(O)C2O)O1)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12CAglycone:
CC(C1CC2(C)OC2(C)C(O)O1)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 622.8 | Num_heavy_atoms: | 44 |
| TPSA: | 161.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD54592
Formula: C28H44O5
Smiles:
CC(C1CC2(C)OC2(C)C(O)O1)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3CCC12C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
