Glycoside
...
GD036652

Name:
None

Formula:
C35H30O11N2ClSBr

Smiles:
CC(=O)O[C@@H]1OC(C(=O)Nc2ncc(C(Oc3ccc4cc(Br)ccc4c3)c3ccc(Cl)cc3)s2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
O=CNc1ncc(C(Oc2ccc3cc(Br)ccc3c2)c2ccc(Cl)cc2)s1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 1 FractionCSP3: 0.29
AlogP: 5.9 Num_rotatable_bonds: 10
MolWt: 790.04 Num_heavy_atoms: 50
TPSA: 165.65 NumAromaticRings: 4

Unique Aglycone
AD23113
Formula: C22H14O2N2ClSBr

Smiles:
O=CNc1ncc(C(Oc2ccc3cc(Br)ccc3c2)c2ccc(Cl)cc2)s1
HBA: 4 RingCount: 4
HBD: 1 FractionCSP3: 0.05
AlogP: 6.45 Num_rotatable_bonds: 6
MolWt: 473.78 Num_heavy_atoms: 28
TPSA: 51.22 NumAromaticRings: 4

Sugarmoiety
SD00257

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O