Glycoside
...
GD109321

Name:
None

Formula:
C25H25O11NS

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2cc3sc(=O)oc3c3ccccc23)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1oc2c(cc(O)c3ccccc32)s1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 1 FractionCSP3: 0.4
AlogP: 2.04 Num_rotatable_bonds: 7
MolWt: 547.54 Num_heavy_atoms: 38
TPSA: 156.67 NumAromaticRings: 3

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
AD38157
Formula: C11H6O3S

Smiles:
O=c1oc2c(cc(O)c3ccccc32)s1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 2.71 Num_rotatable_bonds: 0
MolWt: 218.23 Num_heavy_atoms: 15
TPSA: 50.44 NumAromaticRings: 3

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O