Glycoside
...
GD033622

Name:
None

Formula:
C32H47O18N2S

Smiles:
CC(=O)N[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H]1O

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.CC(=O)NC1C(Sc2ccc(C)cc2)OC(CO)C(O)C1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 11 FractionCSP3: 0.72
AlogP: -6.31 Num_rotatable_bonds: 14
MolWt: 779.79 Num_heavy_atoms: 53
TPSA: 326.55 NumAromaticRings: 1

Unique Aglycone
AD00303
Formula: C11H18O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -5.21 Num_rotatable_bonds: 5
MolWt: 308.26 Num_heavy_atoms: 21
TPSA: 179.61 NumAromaticRings: 0
AD13960
Formula: C15H21O5NS

Smiles:
CC(=O)NC1C(Sc2ccc(C)cc2)OC(CO)C(O)C1O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.53
AlogP: 0.03 Num_rotatable_bonds: 4
MolWt: 327.4 Num_heavy_atoms: 22
TPSA: 99.02 NumAromaticRings: 1

Sugarmoiety
SD00003

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