Glycoside
...
GD107363

Name:
None

Formula:
C26H31O10NS

Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC=O)CC2

Aglycone:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.46
AlogP: 0.36 Num_rotatable_bonds: 8
MolWt: 549.6 Num_heavy_atoms: 38
TPSA: 164.01 NumAromaticRings: 2

Unique Aglycone
AD44302
Formula: C20H21O5NS

Smiles:
COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.3
AlogP: 2.89 Num_rotatable_bonds: 5
MolWt: 387.46 Num_heavy_atoms: 27
TPSA: 84.86 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O