Glycoside
...
GD102594

Name:
None

Formula:
C19H22O6N3Br

Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nc(-c3ccccc3)ncc2Br)[C@@H](O)[C@H](O)[C@@H]1O

Aglycone:
O=C(NCCO)c1nc(-c2ccccc2)ncc1Br

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 4 FractionCSP3: 0.42
AlogP: 0.48 Num_rotatable_bonds: 6
MolWt: 468.3 Num_heavy_atoms: 29
TPSA: 134.03 NumAromaticRings: 2

Unique Aglycone
AD43428
Formula: C13H12O2N3Br

Smiles:
O=C(NCCO)c1nc(-c2ccccc2)ncc1Br
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.15
AlogP: 1.63 Num_rotatable_bonds: 4
MolWt: 322.16 Num_heavy_atoms: 19
TPSA: 75.11 NumAromaticRings: 2

Sugarmoiety
SD00076

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