Glycoside
...
GD036250

Name:
None

Formula:
C18H22O5N3Br

Smiles:
O=C(Nc1ccc(Br)cc1)[C@H](O)[C@H](O)C(=O)N1CCC2(CCNC2=O)CC1

Aglycone:
Nc1ccc(Br)cc1.O=C1NCCC12CCNCC2

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: 0.24 Num_rotatable_bonds: 4
MolWt: 440.29 Num_heavy_atoms: 27
TPSA: 118.97 NumAromaticRings: 1

Unique Aglycone
AD05175
Formula: C8H14ON2

Smiles:
O=C1NCCC12CCNCC2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.88
AlogP: -0.12 Num_rotatable_bonds: 0
MolWt: 154.21 Num_heavy_atoms: 11
TPSA: 41.13 NumAromaticRings: 0
AD17437
Formula: C6H6NBr

Smiles:
Nc1ccc(Br)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 2.03 Num_rotatable_bonds: 0
MolWt: 172.03 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O