Glycoside
...
GD010512

Name:
None

Formula:
C26H22O9N4SBr2

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(SCc3cc4cc(Br)cc(Br)c4oc3=O)nc3cncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1oc2c(Br)cc(Br)cc2cc1CSC1=Nc2cncnc2[N]1

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 0 FractionCSP3: 0.35
AlogP: 4.07 Num_rotatable_bonds: 8
MolWt: 726.36 Num_heavy_atoms: 42
TPSA: 161.94 NumAromaticRings: 4

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
AD08108
Formula: C15H7O2N4SBr2

Smiles:
O=c1oc2c(Br)cc(Br)cc2cc1CSC1=Nc2cncnc2[N]1
HBA: 6 RingCount: 4
HBD: 0 FractionCSP3: 0.07
AlogP: 4.28 Num_rotatable_bonds: 2
MolWt: 467.12 Num_heavy_atoms: 24
TPSA: 82.45 NumAromaticRings: 3

Sugarmoiety
SD00105

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