Glycoside
...
GD107016

Name:
None

Formula:
C26H34O9NS

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H]([NH2+][C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CC2

Aglycone:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C([NH3+])CC2

Sugarmoiety:
OCC1OC([OH2+])C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.5
AlogP: -0.19 Num_rotatable_bonds: 7
MolWt: 536.62 Num_heavy_atoms: 37
TPSA: 151.52 NumAromaticRings: 2

Unique Aglycone
AD44259
Formula: C20H24O4NS

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C([NH3+])CC2
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.35
AlogP: 2.69 Num_rotatable_bonds: 4
MolWt: 374.48 Num_heavy_atoms: 26
TPSA: 72.4 NumAromaticRings: 2

Sugarmoiety
SD04204

OCC1OC([OH2+])C(O)C(O)C1O