Glycoside
...
GD022291

Name:
None

Formula:
C17H30O12N2S

Smiles:
CC(=O)N[C@H](CS)C(=O)NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O

Aglycone:
CC(=O)NC(CS)C(N)=O.OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 10 FractionCSP3: 0.88
AlogP: -6.45 Num_rotatable_bonds: 7
MolWt: 486.5 Num_heavy_atoms: 32
TPSA: 238.5 NumAromaticRings: 0

Unique Aglycone
AD00421
Formula: C6H12O6

Smiles:
OC1C(O)C(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.83 Num_rotatable_bonds: 0
MolWt: 180.16 Num_heavy_atoms: 12
TPSA: 121.38 NumAromaticRings: 0
AD15130
Formula: C5H10O2N2S

Smiles:
CC(=O)NC(CS)C(N)=O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: -1.09 Num_rotatable_bonds: 3
MolWt: 162.21 Num_heavy_atoms: 10
TPSA: 72.19 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O