Glycoside
GD137715
Name:
Polyscioside GFormula:
C54H86O23Smiles:
CC1OC(OC2C(O)C(CO)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 1103.26 | Num_heavy_atoms: | 77 |
| TPSA: | 370.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00086
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD08221
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O