Glycoside
...
GD080764

Name:
None

Formula:
C14H22O10N2S

Smiles:
COc1cc(C)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cn1

Aglycone:
COS(O)(O)O.COc1cc(C)c(C(N)=O)cn1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.57
AlogP: -0.91 Num_rotatable_bonds: 6
MolWt: 410.4 Num_heavy_atoms: 27
TPSA: 191.06 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
AD27617
Formula: C8H10O2N2

Smiles:
COc1cc(C)c(C(N)=O)cn1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.5 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 65.21 NumAromaticRings: 1

Sugarmoiety
SD00017

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