Glycoside
...
GD034982

Name:
None

Formula:
C39H56O22N4F

Smiles:
COC(=O)[C@H](NC(C)=O)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c4ccc(F)cc4)O3)[C@H]2O)[C@H]1NC(C)=O

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CNC(=O)c1ccc(F)cc1.COC(=O)C(NC(C)=O)C(C)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 4
HBD: 12 FractionCSP3: 0.69
AlogP: -7.75 Num_rotatable_bonds: 19
MolWt: 951.88 Num_heavy_atoms: 66
TPSA: 400.05 NumAromaticRings: 1

Unique Aglycone
AD02316
Formula: C7H13O4N

Smiles:
COC(=O)C(NC(C)=O)C(C)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.96 Num_rotatable_bonds: 3
MolWt: 175.18 Num_heavy_atoms: 12
TPSA: 75.63 NumAromaticRings: 0
AD11594
Formula: C18H22O9N2F

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CNC(=O)c1ccc(F)cc1
HBA: 11 RingCount: 2
HBD: 6 FractionCSP3: 0.5
AlogP: -3.63 Num_rotatable_bonds: 7
MolWt: 429.38 Num_heavy_atoms: 30
TPSA: 188.48 NumAromaticRings: 1

Sugarmoiety
SD00222

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O