Glycoside
...
GD006770

Name:
None

Formula:
C35H52O13N3F13S2

Smiles:
O=C(CCCCC1CCSS1)NCCCCC(NC(=O)[C@H](O)[C@H](O)[C@H](C[C@H](O)CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Aglycone:
CC(O)CO.[NH]C(CCCCNC(=O)CCCCC1CCSS1)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Sugarmoiety:
O=CC(O)C(O)COC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 11 FractionCSP3: 0.91
AlogP: 1.37 Num_rotatable_bonds: 28
MolWt: 1033.92 Num_heavy_atoms: 66
TPSA: 267.6 NumAromaticRings: 0

Unique Aglycone
AD05567
Formula: C3H8O2

Smiles:
CC(O)CO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.64 Num_rotatable_bonds: 1
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 40.46 NumAromaticRings: 0
AD05568
Formula: C22H29O2N3F13S2

Smiles:
[NH]C(CCCCNC(=O)CCCCC1CCSS1)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.91
AlogP: 6.88 Num_rotatable_bonds: 18
MolWt: 678.6 Num_heavy_atoms: 42
TPSA: 82.0 NumAromaticRings: 0

Sugarmoiety
SD01167

O=CC(O)C(O)COC1OC(CO)C(O)C(O)C1O