Glycoside
...
GD003231

Name:
None

Formula:
C23H28O5N6S

Smiles:
C[C@]1(O)[C@H](O)[C@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21

Aglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COC(=S)NCc1ccccc1

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.48
AlogP: 1.13 Num_rotatable_bonds: 7
MolWt: 500.58 Num_heavy_atoms: 35
TPSA: 135.81 NumAromaticRings: 3

Unique Aglycone
AD01177
Formula: C9H10ON5

Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 0.59 Num_rotatable_bonds: 2
MolWt: 204.21 Num_heavy_atoms: 15
TPSA: 73.5 NumAromaticRings: 1
AD02947
Formula: C9H11ONS

Smiles:
COC(=S)NCc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.71 Num_rotatable_bonds: 2
MolWt: 181.26 Num_heavy_atoms: 12
TPSA: 21.26 NumAromaticRings: 1

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O