Glycoside
...
GD099317

Name:
None

Formula:
C20H26O7N4S2

Smiles:
CCOC(=O)c1sc2[nH]c(CSCCC#N)n/c(=N\[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1C

Aglycone:
CCOC(=O)c1sc2[nH]c(CSCCC#N)nc(=N)c2c1C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.6
AlogP: -0.04 Num_rotatable_bonds: 8
MolWt: 498.58 Num_heavy_atoms: 33
TPSA: 181.28 NumAromaticRings: 2

Unique Aglycone
AD42242
Formula: C14H16O2N4S2

Smiles:
CCOC(=O)c1sc2[nH]c(CSCCC#N)nc(=N)c2c1C
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.43
AlogP: 2.74 Num_rotatable_bonds: 6
MolWt: 336.44 Num_heavy_atoms: 22
TPSA: 102.62 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O