Glycoside
GD118256
Name:
Plocoside BFormula:
C54H90O24Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC(O)C3C(C)OC3OC(C)C(O)C(OC)C3OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 16 |
| MolWt: | 1123.29 | Num_heavy_atoms: | 78 |
| TPSA: | 342.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD46948
Formula: C21H34O3
Smiles:
CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD05205
COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1O