Glycoside
GD142289
Name:
Cesdiurin IiiFormula:
C46H76O21Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2C(O)C3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2C(O)C3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 965.09 | Num_heavy_atoms: | 67 |
| TPSA: | 336.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD57268
Formula: C28H46O6
Smiles:
COC1(CCC(C)CO)OC2C(O)C3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
