Glycoside
...
GD033257

Name:
None

Formula:
C49H52O8N6

Smiles:
c1ccc(CO[C@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3cn(CCOc4ccccc4)nn3)O[C@H]2OCc2cn(CCOc3ccccc3)nn2)cc1

Aglycone:
COCc1cn(CCOc2ccccc2)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1cn(CCOc2ccccc2)nn1

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

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 0 FractionCSP3: 0.31
AlogP: 7.24 Num_rotatable_bonds: 24
MolWt: 852.99 Num_heavy_atoms: 63
TPSA: 135.26 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
AD21241
Formula: C12H15O2N3

Smiles:
COCc1cn(CCOc2ccccc2)nn1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.33
AlogP: 1.5 Num_rotatable_bonds: 6
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 49.17 NumAromaticRings: 2
AD21242
Formula: C11H13O2N3

Smiles:
OCc1cn(CCOc2ccccc2)nn1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.27
AlogP: 0.85 Num_rotatable_bonds: 5
MolWt: 219.24 Num_heavy_atoms: 16
TPSA: 60.17 NumAromaticRings: 2

Sugarmoiety
SD00017

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