Glycoside
GD125142
Name:
Cucumarioside G2Formula:
C48H74O23SSmiles:
C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OCC(O)C(OC)C8O)C7O)C(O)C6O)CCC5(C)C4CCC13C(=O)O2Aglycone:
C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2.O=S(=O)(O)OSugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 1051.16 | Num_heavy_atoms: | 72 |
| TPSA: | 334.81 | 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 |
AD04322
Formula: C25H36O3
Smiles:
C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.56 | Num_heavy_atoms: | 28 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
