Glycoside
...
GD094760

Name:
None

Formula:
C15H22O12N2S

Smiles:
COC(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc1C(=O)OC

Aglycone:
COC(=O)c1ccc(N)nc1C(=O)OC.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.53
AlogP: -0.97 Num_rotatable_bonds: 7
MolWt: 454.41 Num_heavy_atoms: 30
TPSA: 217.36 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
AD40540
Formula: C9H10O4N2

Smiles:
COC(=O)c1ccc(N)nc1C(=O)OC
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 0.24 Num_rotatable_bonds: 2
MolWt: 210.19 Num_heavy_atoms: 15
TPSA: 91.51 NumAromaticRings: 1

Sugarmoiety
SD00017

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