Glycoside
...
GD014765

Name:
None

Formula:
C50H72O30N5F

Smiles:
COC(=O)[C@H](NC(C)=O)[C@H](C)O[C@@H]1O[C@H](CO[C@@]2(C(=O)[O-])C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CNC(=O)c3ccc(F)cc3)O2)[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)CO)O3)[C@H]2O)[C@H]1NC(C)=O

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.COC(=O)C(NC(C)=O)C(C)O.COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(F)cc2)O1

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

Other Identifiers

Properties
HBA: 35 RingCount: 5
HBD: 16 FractionCSP3: 0.72
AlogP: -11.91 Num_rotatable_bonds: 26
MolWt: 1242.13 Num_heavy_atoms: 86
TPSA: 548.43 NumAromaticRings: 1

Unique Aglycone
AD00303
Formula: C11H18O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -5.21 Num_rotatable_bonds: 5
MolWt: 308.26 Num_heavy_atoms: 21
TPSA: 179.61 NumAromaticRings: 0
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
AD09578
Formula: C19H24O9N2F

Smiles:
COC1(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CNC(=O)c2ccc(F)cc2)O1
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.53
AlogP: -2.98 Num_rotatable_bonds: 8
MolWt: 443.4 Num_heavy_atoms: 31
TPSA: 177.48 NumAromaticRings: 1

Sugarmoiety
SD00558

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