Glycoside
...
GD103310

Name:
None

Formula:
C20H26O9N3F

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC[C@H]3C[C@H](F)C3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(NCC2CC(F)C2)c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.65
AlogP: 0.02 Num_rotatable_bonds: 8
MolWt: 471.44 Num_heavy_atoms: 33
TPSA: 155.02 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD43727
Formula: C9H12O2N3F

Smiles:
O=c1[nH]cc(NCC2CC(F)C2)c(=O)[nH]1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.56
AlogP: 0.22 Num_rotatable_bonds: 3
MolWt: 213.21 Num_heavy_atoms: 15
TPSA: 77.75 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O