Glycoside
...
GD018221

Name:
None

Formula:
C15H26O18N2S3

Smiles:
CCN(CC(=O)NC[C@@H]1O[C@H](OC)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O)C(=O)CCC(=O)O

Aglycone:
CCN(CC(=O)NC)C(=O)CCC(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 1
HBD: 5 FractionCSP3: 0.8
AlogP: -3.25 Num_rotatable_bonds: 15
MolWt: 618.57 Num_heavy_atoms: 38
TPSA: 295.97 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD12894
Formula: C9H16O4N2

Smiles:
CCN(CC(=O)NC)C(=O)CCC(=O)O
HBA: 6 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.55 Num_rotatable_bonds: 6
MolWt: 216.24 Num_heavy_atoms: 15
TPSA: 86.71 NumAromaticRings: 0

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O