Glycoside
...
GD007065

Name:
None

Formula:
C42H58O15N3F13

Smiles:
Cc1c(C)c2c(c(C)c1O)CCC(C)(CC(=O)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)O2

Aglycone:
CC(O)CO.Cc1c(C)c2c(c(C)c1O)CCC(C)(CC(=O)NCCCCC([NH])C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 12 FractionCSP3: 0.79
AlogP: 1.46 Num_rotatable_bonds: 25
MolWt: 1091.91 Num_heavy_atoms: 73
TPSA: 297.06 NumAromaticRings: 1

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
AD05778
Formula: C29H35O4N3F13

Smiles:
Cc1c(C)c2c(c(C)c1O)CCC(C)(CC(=O)NCCCCC([NH])C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.72
AlogP: 6.97 Num_rotatable_bonds: 15
MolWt: 736.59 Num_heavy_atoms: 49
TPSA: 111.46 NumAromaticRings: 1

Sugarmoiety
SD01167

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