Glycoside
GD146641
Name:
Zygophyloside NFormula:
C47H76O16Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CCC5C7C(C)C8(C)CCC7(CCC56C)C(=O)O8)C4(C)C)OC(CO)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC23CCC1(C)OC3=OSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 10 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 897.11 | Num_heavy_atoms: | 63 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD21507
Formula: C30H48O3
Smiles:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC23CCC1(C)OC3=O| HBA: | 3 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
