Glycoside
GD118565
Name:
Thalicoside FFormula:
C47H74O17Smiles:
CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5C5OC5C57OC(=O)C8(CCC(C)(C)CC85)CCC67C)C4(C)C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 10 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 911.09 | Num_heavy_atoms: | 64 |
| TPSA: | 256.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD05043
Formula: C30H46O4
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1| HBA: | 4 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
