Glycoside
...
GD017841

Name:
None

Formula:
C58H52O22N6

Smiles:
CC(=O)O[C@H]1[C@H](Cn2cc(COC(=O)c3cccc(C(=O)OCc4cn(C[C@H]5O[C@@H](C6=CC(=O)c7ccccc7C6=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)nn4)c3)nn2)O[C@H](C2=CC(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
Cn1cc(COC(=O)c2cccc(C(=O)OCc3cn(C)nn3)c2)nn1.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21

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: 0 FractionCSP3: 0.34
AlogP: 2.72 Num_rotatable_bonds: 18
MolWt: 1185.07 Num_heavy_atoms: 86
TPSA: 358.56 NumAromaticRings: 5

Unique Aglycone
AD06444
Formula: C16H16O4N6

Smiles:
Cn1cc(COC(=O)c2cccc(C(=O)OCc3cn(C)nn3)c2)nn1
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.25
AlogP: 0.66 Num_rotatable_bonds: 6
MolWt: 356.34 Num_heavy_atoms: 26
TPSA: 114.02 NumAromaticRings: 3
AD10616
Formula: C10H6O2

Smiles:
O=C1C=CC(=O)c2ccccc21
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.62 Num_rotatable_bonds: 0
MolWt: 158.16 Num_heavy_atoms: 12
TPSA: 34.14 NumAromaticRings: 1

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