Glycoside

GD013171
Name:
FISCHEROSIDES CFormula:
C28H40O12Smiles:
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)CAglycone:
CC(=O)OC12C(O)C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther 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)CHBA: | 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 |