Glycoside
GD154861
Name:
Anagallisin CFormula:
C52H86O22Smiles:
CC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 1063.24 | Num_heavy_atoms: | 74 |
| TPSA: | 346.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD17346
Formula: C30H50O4
Smiles:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
