Glycoside
...
GD025689

Name:
None

Formula:
C37H44O11N2S

Smiles:
CCCCCCCc1cc(O[C@@H]2O[C@H](C)[C@H](OC)[C@H](OC(=O)c3ccc(C)[nH]3)[C@H]2O)c(C)c2oc(=O)c(C(=O)NS(=O)(=O)c3ccccc3)cc12

Aglycone:
CCCCCCCc1cc(O)c(C)c2oc(=O)c(C(=O)NS(=O)(=O)c3ccccc3)cc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 3 FractionCSP3: 0.43
AlogP: 5.09 Num_rotatable_bonds: 14
MolWt: 724.83 Num_heavy_atoms: 51
TPSA: 183.46 NumAromaticRings: 4

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD17010
Formula: C24H27O6NS

Smiles:
CCCCCCCc1cc(O)c(C)c2oc(=O)c(C(=O)NS(=O)(=O)c3ccccc3)cc12
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.33
AlogP: 4.44 Num_rotatable_bonds: 9
MolWt: 457.55 Num_heavy_atoms: 32
TPSA: 113.68 NumAromaticRings: 3

Sugarmoiety
SD00158

COC1C(C)OC(O)C(O)C1O