Glycoside
...
GD010888

Name:
None

Formula:
C24H30O11N3PS2

Smiles:
COP(=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)c1ccccc1

Aglycone:
COC(C)=O.COP(=S)(NN1C(=N)SCC1=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 0.79 Num_rotatable_bonds: 10
MolWt: 631.62 Num_heavy_atoms: 41
TPSA: 168.36 NumAromaticRings: 1

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
AD08354
Formula: C10H12O2N3PS2

Smiles:
COP(=S)(NN1C(=N)SCC1=O)c1ccccc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 1.28 Num_rotatable_bonds: 4
MolWt: 301.33 Num_heavy_atoms: 18
TPSA: 65.42 NumAromaticRings: 1

Sugarmoiety
SD00012

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