Glycoside
...
GD018082

Name:
None

Formula:
C29H26O11N3Br

Smiles:
CC(=O)OC[C@@H]1O[C@H](N2C(=O)C(=C3C(=O)Nc4ncccc43)c3cc(Br)ccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1Nc2ccc(Br)cc2C1=C1C(=O)Nc2ncccc21

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 1 FractionCSP3: 0.34
AlogP: 2.14 Num_rotatable_bonds: 6
MolWt: 672.44 Num_heavy_atoms: 44
TPSA: 176.73 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
AD12815
Formula: C15H8O2N3Br

Smiles:
O=C1Nc2ccc(Br)cc2C1=C1C(=O)Nc2ncccc21
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.0
AlogP: 2.66 Num_rotatable_bonds: 0
MolWt: 342.15 Num_heavy_atoms: 21
TPSA: 71.09 NumAromaticRings: 2

Sugarmoiety
SD00012

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