Glycoside
...
GD008368

Name:
None

Formula:
C21H27O10N5S

Smiles:
CSc1nc2c(nc(N)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C

Aglycone:
COC(C)=O.CSc1nc2c(c(=O)n1C)N=C(N)[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.57
AlogP: -0.31 Num_rotatable_bonds: 7
MolWt: 541.54 Num_heavy_atoms: 37
TPSA: 193.16 NumAromaticRings: 2

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
AD06685
Formula: C7H8ON5S

Smiles:
CSc1nc2c(c(=O)n1C)N=C(N)[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: -0.3 Num_rotatable_bonds: 1
MolWt: 210.24 Num_heavy_atoms: 14
TPSA: 87.37 NumAromaticRings: 1

Sugarmoiety
SD00012

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