Glycoside
...
GD094772

Name:
None

Formula:
C17H25O10N3S2

Smiles:
CCOC(=O)c1sc2[nH]c(C)n/c(=N\[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2c1C

Aglycone:
CCOC(=O)c1sc2[nH]c(C)nc(=N)c2c1C.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.59
AlogP: 0.28 Num_rotatable_bonds: 6
MolWt: 495.53 Num_heavy_atoms: 32
TPSA: 207.18 NumAromaticRings: 2

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
AD40541
Formula: C11H13O2N3S

Smiles:
CCOC(=O)c1sc2[nH]c(C)nc(=N)c2c1C
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.36
AlogP: 1.9 Num_rotatable_bonds: 2
MolWt: 251.31 Num_heavy_atoms: 17
TPSA: 78.83 NumAromaticRings: 2

Sugarmoiety
SD00017

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