Glycoside
GD141650
Name:
NoneFormula:
C54H84O25SSmiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(OC5OCC(OS(=O)(=O)O)C(O)C5OC5OC(C)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)C5O)CCC4(C)C3CCC23C(=O)OC(C)(CCC=C(C)C)C13Aglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCC=C(C)C)C13.O=S(=O)(O)OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 15 |
| MolWt: | 1165.31 | Num_heavy_atoms: | 80 |
| TPSA: | 372.11 | 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 |
AD01190
Formula: C32H48O5
Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCC=C(C)C)C13| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.73 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
