Glycoside
...
GD101276

Name:
None

Formula:
C18H20O6N4ClBr

Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(Br)nn2-c2ncccc2Cl)[C@@H](O)[C@H](O)[C@@H]1O

Aglycone:
O=C(NCCO)c1cc(Br)nn1-c1ncccc1Cl

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.47
AlogP: 0.26 Num_rotatable_bonds: 6
MolWt: 491.73 Num_heavy_atoms: 29
TPSA: 138.96 NumAromaticRings: 2

Unique Aglycone
AD42844
Formula: C12H10O2N4ClBr

Smiles:
O=C(NCCO)c1cc(Br)nn1-c1ncccc1Cl
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.41 Num_rotatable_bonds: 4
MolWt: 345.58 Num_heavy_atoms: 19
TPSA: 80.04 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O