Glycoside
...
GD013171

Name:
FISCHEROSIDES C

Formula:
C28H40O12

Smiles:
CC(=O)O[C@]12[C@@H]([C@H]3C=C(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@]4(O)C(=O)C(C)=C[C@@H]4[C@]3(O)[C@@H](C)[C@H]1O)C2(C)C

Aglycone:
CC(=O)OC12C(O)C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.79
AlogP: -1.67 Num_rotatable_bonds: 5
MolWt: 568.62 Num_heavy_atoms: 40
TPSA: 203.44 NumAromaticRings: 0

Unique Aglycone
AD09866
Formula: C22H30O7

Smiles:
CC(=O)OC12C(O)C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.73
AlogP: 0.5 Num_rotatable_bonds: 2
MolWt: 406.48 Num_heavy_atoms: 29
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O