Glycoside
GD114851
Name:
Cesdiurin IFormula:
C46H74O20Smiles:
C=C(CCC1(OC)OC2C(O)C3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(OC)OC2C(O)C3C4CC=C5CC(O)CCC5(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: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 14 |
| MolWt: | 947.08 | Num_heavy_atoms: | 66 |
| TPSA: | 316.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD45322
Formula: C28H44O5
Smiles:
C=C(CO)CCC1(OC)OC2C(O)C3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.66 | Num_heavy_atoms: | 33 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
