Glycoside
...
GD094584

Name:
None

Formula:
C17H29O10N3S

Smiles:
Cc1nn(C2CCOCC2)c(C)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.Cc1nn(C2CCOCC2)c(C)c1C(N)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.76
AlogP: -0.46 Num_rotatable_bonds: 6
MolWt: 467.5 Num_heavy_atoms: 31
TPSA: 195.99 NumAromaticRings: 1

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
AD34745
Formula: C11H17O2N3

Smiles:
Cc1nn(C2CCOCC2)c(C)c1C(N)=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.64
AlogP: 0.95 Num_rotatable_bonds: 2
MolWt: 223.28 Num_heavy_atoms: 16
TPSA: 70.14 NumAromaticRings: 1

Sugarmoiety
SD00017

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