Glycoside
GD123923
Name:
TurrillianosideFormula:
C39H62O14Smiles:
CC1COC2(OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CC(O)C4(C)C3C2C)C(O)C1Aglycone:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C4(C)C3C2C)C(O)C1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 754.91 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50040
Formula: C27H42O5
Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C4(C)C3C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
