Glycoside
...
GD100277

Name:
None

Formula:
C20H25O9N2F

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccnc(C)c2F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1nccc(N)c1F

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.55
AlogP: 1.02 Num_rotatable_bonds: 7
MolWt: 456.42 Num_heavy_atoms: 32
TPSA: 139.35 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
AD42373
Formula: C6H7N2F

Smiles:
Cc1nccc(N)c1F
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.11 Num_rotatable_bonds: 0
MolWt: 126.13 Num_heavy_atoms: 9
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O