Glycoside
...
GD005662

Name:
None

Formula:
C62H68O22N6

Smiles:
COc1cc([C@@H]2O[C@H](CN3C=C(COC(=O)c4cccc(C(=O)OCC5=CN(C[C@@H]6O[C@H](c7cc(OC)c8ccccc8c7OC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)NN5)c4)NN3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c2ccccc12

Aglycone:
CN1C=C(COC(=O)c2cccc(C(=O)OCC3=CN(C)NN3)c2)NN1.COc1ccc(OC)c2ccccc12.COc1ccc(OC)c2ccccc12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 4 FractionCSP3: 0.39
AlogP: 4.54 Num_rotatable_bonds: 22
MolWt: 1249.25 Num_heavy_atoms: 90
TPSA: 320.38 NumAromaticRings: 5

Unique Aglycone
AD04772
Formula: C16H20O4N6

Smiles:
CN1C=C(COC(=O)c2cccc(C(=O)OCC3=CN(C)NN3)c2)NN1
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.25
AlogP: -0.41 Num_rotatable_bonds: 6
MolWt: 360.37 Num_heavy_atoms: 26
TPSA: 107.2 NumAromaticRings: 1
AD04773
Formula: C12H12O2

Smiles:
COc1ccc(OC)c2ccccc12
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.17
AlogP: 2.86 Num_rotatable_bonds: 2
MolWt: 188.23 Num_heavy_atoms: 14
TPSA: 18.46 NumAromaticRings: 2

Sugarmoiety
SD00731

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O