Glycoside
...
GD006929

Name:
None

Formula:
C44H72O13NF

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCc2ccc(F)cc2)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCc2ccc(F)cc2)CC(C)C(=O)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 4 FractionCSP3: 0.82
AlogP: 4.15 Num_rotatable_bonds: 10
MolWt: 842.05 Num_heavy_atoms: 59
TPSA: 182.91 NumAromaticRings: 1

Unique Aglycone
AD05682
Formula: C36H58O10NF

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCc2ccc(F)cc2)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.78
AlogP: 3.22 Num_rotatable_bonds: 7
MolWt: 683.86 Num_heavy_atoms: 48
TPSA: 155.22 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O