Glycoside
...
GD024744

Name:
None

Formula:
C38H51O9N3S

Smiles:
CCCC[C@@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@H](c2cccc(NC(=O)N[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)[C@H]1O

Aglycone:
CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(N)=O)c2)C1O.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.5
AlogP: 3.77 Num_rotatable_bonds: 12
MolWt: 725.91 Num_heavy_atoms: 51
TPSA: 177.89 NumAromaticRings: 3

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD04769
Formula: C25H35O4N3S

Smiles:
CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(N)=O)c2)C1O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.48
AlogP: 4.11 Num_rotatable_bonds: 7
MolWt: 473.64 Num_heavy_atoms: 33
TPSA: 112.73 NumAromaticRings: 2

Sugarmoiety
SD00003

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