Glycoside
...
GD000637

Name:
None

Formula:
C23H29O10N5S2

Smiles:
CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(-c2csc(N)n2)c(=O)n1C

Aglycone:
COC(C)=O.CSc1nc(N)c(-c2csc(N)n2)c(=O)n1C

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.52
AlogP: 0.7 Num_rotatable_bonds: 9
MolWt: 599.64 Num_heavy_atoms: 40
TPSA: 200.26 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
AD00692
Formula: C9H11ON5S2

Smiles:
CSc1nc(N)c(-c2csc(N)n2)c(=O)n1C
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.22
AlogP: 0.79 Num_rotatable_bonds: 2
MolWt: 269.36 Num_heavy_atoms: 17
TPSA: 99.82 NumAromaticRings: 2

Sugarmoiety
SD00012

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