Glycoside
...
GD030587

Name:
None

Formula:
C23H19O7N6Cl

Smiles:
CC(=O)O[C@@H]1[C@@H](n2cnc3c(N)nc(Cl)nc32)O[C@@H](CN2C(=O)c3ccccc3C2=O)[C@H]1OC(C)=O

Aglycone:
CN1C(=O)c2ccccc2C1=O.Nc1nc(Cl)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 2 FractionCSP3: 0.32
AlogP: 1.12 Num_rotatable_bonds: 5
MolWt: 514.88 Num_heavy_atoms: 36
TPSA: 168.83 NumAromaticRings: 3

Unique Aglycone
AD00532
Formula: C6H3N5Cl

Smiles:
Nc1nc(Cl)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 0
MolWt: 168.57 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1
AD04519
Formula: C9H7O2N

Smiles:
CN1C(=O)c2ccccc2C1=O
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.11
AlogP: 0.91 Num_rotatable_bonds: 0
MolWt: 161.16 Num_heavy_atoms: 12
TPSA: 37.38 NumAromaticRings: 1

Sugarmoiety
SD00105

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