Glycoside
GD139259
Name:
Spongipregnoloside DFormula:
C40H64O16Smiles:
COC1CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1C(C)=OAglycone:
COC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)=OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 800.94 | Num_heavy_atoms: | 56 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD56157
Formula: C22H34O3
Smiles:
COC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.51 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
