Glycoside
...
GD013818

Name:
None

Formula:
C29H27O8N4ClS

Smiles:
CC(=O)O[C@@H]1OC(n2nc(-c3ccccc3)n(N=Cc3ccc(Cl)cc3)c2=S)[C@H](C(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.32
AlogP: 4.1 Num_rotatable_bonds: 8
MolWt: 615.06 Num_heavy_atoms: 42
TPSA: 140.31 NumAromaticRings: 3

Unique Aglycone
AD10250
Formula: C16H11N4ClS

Smiles:
S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(Cl)cc1
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 4.14 Num_rotatable_bonds: 3
MolWt: 314.8 Num_heavy_atoms: 21
TPSA: 45.97 NumAromaticRings: 3

Sugarmoiety
SD01726

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