Glycoside
...
GD034060

Name:
None

Formula:
C30H30O11N3F3S2

Smiles:
O=c1oc2ccc(F)c(F)c2cc1CO[C@H]1[C@H](O)[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)O[C@@H](CO)[C@H]1O

Aglycone:
O=c1oc2ccc(F)c(F)c2cc1CO.OCC1OC(SS)C(O)C(n2cc(-c3cccc(F)c3)nn2)C1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.43
AlogP: 0.85 Num_rotatable_bonds: 10
MolWt: 729.71 Num_heavy_atoms: 49
TPSA: 209.99 NumAromaticRings: 4

Unique Aglycone
AD07016
Formula: C10H6O3F2

Smiles:
O=c1oc2ccc(F)c(F)c2cc1CO
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.1
AlogP: 1.56 Num_rotatable_bonds: 1
MolWt: 212.15 Num_heavy_atoms: 15
TPSA: 50.44 NumAromaticRings: 2
AD21695
Formula: C14H16O4N3FS2

Smiles:
OCC1OC(SS)C(O)C(n2cc(-c3cccc(F)c3)nn2)C1O
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.43
AlogP: 0.64 Num_rotatable_bonds: 4
MolWt: 373.43 Num_heavy_atoms: 24
TPSA: 100.63 NumAromaticRings: 2

Sugarmoiety
SD00003

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