Glycoside
...
GD033032

Name:
OPERCULINOSIDE B

Formula:
C49H84O19

Smiles:
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)O1

Aglycone:
CC(C)C1(CO)CCC(C)(C2C(O)CC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other 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)O1
HBA: 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

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O