Glycoside
...
GD036786

Name:
None

Formula:
C47H48O6N6

Smiles:
c1ccc(CO[C@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3cn(Cc4ccccc4)nn3)O[C@H]2OCc2cn(Cc3ccccc3)nn2)cc1

Aglycone:
COCc1cn(Cc2ccccc2)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1cn(Cc2ccccc2)nn1

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

Other Identifiers

Properties
HBA: 12 RingCount: 8
HBD: 0 FractionCSP3: 0.28
AlogP: 7.18 Num_rotatable_bonds: 20
MolWt: 792.94 Num_heavy_atoms: 59
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
AD16373
Formula: C10H11ON3

Smiles:
OCc1cn(Cc2ccccc2)nn1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 0.82 Num_rotatable_bonds: 3
MolWt: 189.22 Num_heavy_atoms: 14
TPSA: 50.94 NumAromaticRings: 2
AD23195
Formula: C11H13ON3

Smiles:
COCc1cn(Cc2ccccc2)nn1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.27
AlogP: 1.47 Num_rotatable_bonds: 4
MolWt: 203.25 Num_heavy_atoms: 15
TPSA: 39.94 NumAromaticRings: 2

Sugarmoiety
SD00017

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