Glycoside
...
GD012682

Name:
None

Formula:
C23H27O11N3S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc3sc(C(C)=O)c(C)c3c(=O)n2N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.52
AlogP: 0.86 Num_rotatable_bonds: 8
MolWt: 585.61 Num_heavy_atoms: 39
TPSA: 192.41 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
AD02113
Formula: C9H9O2N3S2

Smiles:
CC(=O)c1sc2nc(S)n(N)c(=O)c2c1C
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.22
AlogP: 0.97 Num_rotatable_bonds: 1
MolWt: 255.32 Num_heavy_atoms: 16
TPSA: 77.98 NumAromaticRings: 2

Sugarmoiety
SD00012

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