Glycoside
...
GD102861

Name:
None

Formula:
C21H22O8N5Cl

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CC(=O)C4)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1CC(Nc2nc(Cl)nc3c2N=C[N]3)C1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.55
AlogP: 0.95 Num_rotatable_bonds: 7
MolWt: 495.88 Num_heavy_atoms: 34
TPSA: 160.83 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD43540
Formula: C10H7ON5Cl

Smiles:
O=C1CC(Nc2nc(Cl)nc3c2N=C[N]3)C1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.33
AlogP: 1.18 Num_rotatable_bonds: 2
MolWt: 236.64 Num_heavy_atoms: 16
TPSA: 81.34 NumAromaticRings: 1

Sugarmoiety
SD00105

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