Glycoside
...
GD086815

Name:
None

Formula:
C14H27O10N3S

Smiles:
CC(=O)N1CCN(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
CC(=O)N1CCN(CC(N)=O)CC1.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.86
AlogP: -2.77 Num_rotatable_bonds: 6
MolWt: 429.45 Num_heavy_atoms: 28
TPSA: 192.49 NumAromaticRings: 0

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD28927
Formula: C8H15O2N3

Smiles:
CC(=O)N1CCN(CC(N)=O)CC1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.75
AlogP: -1.36 Num_rotatable_bonds: 2
MolWt: 185.23 Num_heavy_atoms: 13
TPSA: 66.64 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O