Glycoside
GD143816
Name:
Certonardoside GFormula:
C39H68O16SSmiles:
COC1COC(OC2C(OC(CCC(C)C3CC(O)C4C5CC(OS(=O)(=O)O)C6C(O)C(O)CCC6(C)C5CCC34C)C(C)C)OC(CO)C2O)C(OC)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(OS(=O)(=O)O)C4C(O)C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 825.02 | Num_heavy_atoms: | 56 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD57823
Formula: C27H48O8S
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(OS(=O)(=O)O)C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
