Glycoside

GD033032
Name:
OPERCULINOSIDE BFormula:
C49H84O19Smiles:
CC(C)[C@@]1(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@](C)([C@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)O1Aglycone:
CC(C)C1(CO)CCC(C)(C2C(O)CC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 8 |
HBD: | 12 | FractionCSP3: | 1.0 |
AlogP: | -0.57 | Num_rotatable_bonds: | 12 |
MolWt: | 977.19 | Num_heavy_atoms: | 68 |
TPSA: | 307.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD06076
Formula: C31H54O4
Smiles:
CC(C)C1(CO)CCC(C)(C2C(O)CC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1HBA: | 4 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 5.96 | Num_rotatable_bonds: | 3 |
MolWt: | 490.77 | Num_heavy_atoms: | 35 |
TPSA: | 69.92 | NumAromaticRings: | 0 |