Glycoside
...
GD021629

Name:
None

Formula:
C29H32O8N6S

Smiles:
COc1ccc2c(c1)c(CCOc1nc(N)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n1)c(C)n2S(=O)(=O)c1ccc(C)cc1

Aglycone:
COc1ccc2c(c1)c(CCOc1nc(N)c3c(n1)[N]C=N3)c(C)n2S(=O)(=O)c1ccc(C)cc1

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 5 FractionCSP3: 0.34
AlogP: 1.46 Num_rotatable_bonds: 9
MolWt: 624.68 Num_heavy_atoms: 44
TPSA: 197.07 NumAromaticRings: 5

Unique Aglycone
AD14757
Formula: C24H23O4N6S

Smiles:
COc1ccc2c(c1)c(CCOc1nc(N)c3c(n1)[N]C=N3)c(C)n2S(=O)(=O)c1ccc(C)cc1
HBA: 10 RingCount: 5
HBD: 2 FractionCSP3: 0.21
AlogP: 3.41 Num_rotatable_bonds: 7
MolWt: 491.55 Num_heavy_atoms: 35
TPSA: 135.79 NumAromaticRings: 4

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O