Glycoside
...
GD035962

Name:
None

Formula:
C51H56O10N6

Smiles:
COc1ccc(OC)c(Cn2cc(COC[C@@H]3O[C@H](OCc4cn(Cc5cc(OC)ccc5OC)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)c1

Aglycone:
COCc1cn(Cc2cc(OC)ccc2OC)nn1.COc1ccc(OC)c(Cn2cc(CO)nn2)c1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 0 FractionCSP3: 0.33
AlogP: 7.22 Num_rotatable_bonds: 24
MolWt: 913.04 Num_heavy_atoms: 67
TPSA: 153.72 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
AD22723
Formula: C13H17O3N3

Smiles:
COCc1cn(Cc2cc(OC)ccc2OC)nn1
HBA: 6 RingCount: 2
HBD: 0 FractionCSP3: 0.38
AlogP: 1.49 Num_rotatable_bonds: 6
MolWt: 263.3 Num_heavy_atoms: 19
TPSA: 58.4 NumAromaticRings: 2
AD22724
Formula: C12H15O3N3

Smiles:
COc1ccc(OC)c(Cn2cc(CO)nn2)c1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.33
AlogP: 0.84 Num_rotatable_bonds: 5
MolWt: 249.27 Num_heavy_atoms: 18
TPSA: 69.4 NumAromaticRings: 2

Sugarmoiety
SD00017

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