Glycoside
...
GD010705

Name:
None

Formula:
C27H26O10N4S

Smiles:
COc1cccc2cc(CSc3nc4cncnc4n3[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)oc12

Aglycone:
COC(C)=O.COc1cccc2cc(CSC3=Nc4cncnc4[N]3)c(=O)oc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 0 FractionCSP3: 0.37
AlogP: 2.56 Num_rotatable_bonds: 9
MolWt: 598.59 Num_heavy_atoms: 42
TPSA: 171.17 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
AD01565
Formula: C16H11O3N4S

Smiles:
COc1cccc2cc(CSC3=Nc4cncnc4[N]3)c(=O)oc12
HBA: 7 RingCount: 4
HBD: 0 FractionCSP3: 0.12
AlogP: 2.76 Num_rotatable_bonds: 3
MolWt: 339.36 Num_heavy_atoms: 24
TPSA: 91.68 NumAromaticRings: 3

Sugarmoiety
SD00105

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