Glycoside
...
GD004987

Name:
None

Formula:
C21H25O10N3S2

Smiles:
CCOC(=O)c1sc2nc(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)n(N)c(=O)c2c1C

Aglycone:
CCOC(=O)c1sc2nc(S)n(N)c(=O)c2c1C.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.52
AlogP: 0.9 Num_rotatable_bonds: 8
MolWt: 543.58 Num_heavy_atoms: 36
TPSA: 175.34 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
AD04278
Formula: C10H11O3N3S2

Smiles:
CCOC(=O)c1sc2nc(S)n(N)c(=O)c2c1C
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.3
AlogP: 0.95 Num_rotatable_bonds: 2
MolWt: 285.35 Num_heavy_atoms: 18
TPSA: 87.21 NumAromaticRings: 2

Sugarmoiety
SD00105

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