Glycoside
GD117662
Name:
Certonardoside BFormula:
C39H66O15SSmiles:
C=C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)C(C)COC1OCC(O)C(OS(=O)(=O)O)C1OC1OCC(O)C(O)C1OCAglycone:
C=C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)C(C)CO.O=S(=O)(O)OSugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 13 |
| MolWt: | 807.01 | Num_heavy_atoms: | 55 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD46947
Formula: C28H48O4
Smiles:
C=C(CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C)C(C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.69 | Num_heavy_atoms: | 32 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
