Glycoside
...
GD034345

Name:
None

Formula:
C23H26O7N8

Smiles:
CNC(=O)NC[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CNC(=O)NC.O=C(Nc1ccccc1)Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 4 FractionCSP3: 0.35
AlogP: 1.16 Num_rotatable_bonds: 7
MolWt: 526.51 Num_heavy_atoms: 38
TPSA: 187.69 NumAromaticRings: 3

Unique Aglycone
AD01593
Formula: C3H8ON2

Smiles:
CNC(=O)NC
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.45 Num_rotatable_bonds: 0
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 41.13 NumAromaticRings: 0
AD01594
Formula: C12H9ON6

Smiles:
O=C(Nc1ccccc1)Nc1ncnc2c1N=C[N]2
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.03 Num_rotatable_bonds: 2
MolWt: 253.24 Num_heavy_atoms: 19
TPSA: 93.37 NumAromaticRings: 2

Sugarmoiety
SD00105

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