Glycoside
...
GD023907

Name:
None

Formula:
C22H30O10N3PS2

Smiles:
COP(=S)(NNC(=S)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)(NNC(N)=S)c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 0.32 Num_rotatable_bonds: 10
MolWt: 591.6 Num_heavy_atoms: 38
TPSA: 159.75 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
AD16030
Formula: C8H12ON3PS2

Smiles:
COP(=S)(NNC(N)=S)c1ccccc1
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.12
AlogP: 0.61 Num_rotatable_bonds: 4
MolWt: 261.31 Num_heavy_atoms: 15
TPSA: 59.31 NumAromaticRings: 1

Sugarmoiety
SD00012

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