Glycoside
...
GD023623

Name:
None

Formula:
C33H24O7N6ClI

Smiles:
CNC(=O)C1OC(n2cnc3c(NC(=O)c4cccc(I)c4)nc(Cl)nc32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

Aglycone:
O=C(Nc1nc(Cl)nc2c1N=C[N]2)c1cccc(I)c1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 2 FractionCSP3: 0.16
AlogP: 4.43 Num_rotatable_bonds: 8
MolWt: 766.94 Num_heavy_atoms: 47
TPSA: 163.63 NumAromaticRings: 5

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD02975
Formula: C13H6ON5ClI

Smiles:
O=C(Nc1nc(Cl)nc2c1N=C[N]2)c1cccc(I)c1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 2.9 Num_rotatable_bonds: 2
MolWt: 398.57 Num_heavy_atoms: 20
TPSA: 81.34 NumAromaticRings: 2

Sugarmoiety
SD00034

CNC(=O)C1OC(O)C(O)C1O