Glycoside
...
GD025997

Name:
None

Formula:
C21H32O12N3PS2

Smiles:
CCOP(=S)(NN1C(=O)CSC1=N[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OCC

Aglycone:
CCOP(=S)(NN1C(=N)SCC1=O)OCC.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 1 FractionCSP3: 0.71
AlogP: 0.8 Num_rotatable_bonds: 12
MolWt: 613.6 Num_heavy_atoms: 39
TPSA: 177.59 NumAromaticRings: 0

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
AD12106
Formula: C7H14O3N3PS2

Smiles:
CCOP(=S)(NN1C(=N)SCC1=O)OCC
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.71
AlogP: 1.3 Num_rotatable_bonds: 6
MolWt: 283.32 Num_heavy_atoms: 16
TPSA: 74.65 NumAromaticRings: 0

Sugarmoiety
SD00012

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