Glycoside
GD134397
Name:
myrseguinoside eFormula:
C55H92O23Smiles:
COC(OC)C1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
COC(OC)C1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 1121.32 | Num_heavy_atoms: | 78 |
| TPSA: | 344.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD20406
Formula: C32H54O5
Smiles:
COC(OC)C1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 518.78 | Num_heavy_atoms: | 37 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
