Glycoside
...
GD109228

Name:
None

Formula:
C28H35O7N3F3S

Smiles:
O=C(O)[C@H]1O[C@@H](OCCN2CC[NH+](CCCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)CC2)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:
OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 5 FractionCSP3: 0.54
AlogP: 0.81 Num_rotatable_bonds: 9
MolWt: 614.66 Num_heavy_atoms: 42
TPSA: 127.37 NumAromaticRings: 2

Unique Aglycone
AD44531
Formula: C22H27ON3F3S

Smiles:
OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.45
AlogP: 2.89 Num_rotatable_bonds: 6
MolWt: 438.54 Num_heavy_atoms: 30
TPSA: 31.15 NumAromaticRings: 2

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O