Glycoside
...
GD030360

Name:
None

Formula:
C47H46O6N6F2

Smiles:
Fc1ccc(Cn2cc(COC[C@@H]3O[C@H](OCc4cn(Cc5ccc(F)cc5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)cc1

Aglycone:
COCc1cn(Cc2ccc(F)cc2)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1cn(Cc2ccc(F)cc2)nn1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 8
HBD: 0 FractionCSP3: 0.28
AlogP: 7.46 Num_rotatable_bonds: 20
MolWt: 828.92 Num_heavy_atoms: 61
TPSA: 116.8 NumAromaticRings: 7

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD19646
Formula: C11H12ON3F

Smiles:
COCc1cn(Cc2ccc(F)cc2)nn1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.27
AlogP: 1.61 Num_rotatable_bonds: 4
MolWt: 221.24 Num_heavy_atoms: 16
TPSA: 39.94 NumAromaticRings: 2
AD19647
Formula: C10H10ON3F

Smiles:
OCc1cn(Cc2ccc(F)cc2)nn1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 0.96 Num_rotatable_bonds: 3
MolWt: 207.21 Num_heavy_atoms: 15
TPSA: 50.94 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O