Glycoside
...
GD106883

Name:
None

Formula:
C22H23O12NS2

Smiles:
CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)c2nc3ccccc3c(=O)s2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1sc([S](=O)=O)nc2ccccc12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 0.51 Num_rotatable_bonds: 7
MolWt: 557.56 Num_heavy_atoms: 37
TPSA: 178.53 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44238
Formula: C8H4O3NS2

Smiles:
O=c1sc([S](=O)=O)nc2ccccc12
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 0.89 Num_rotatable_bonds: 1
MolWt: 226.26 Num_heavy_atoms: 14
TPSA: 64.1 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O