Glycoside
...
GD096526

Name:
None

Formula:
C19H29O9N3S

Smiles:
CCN(CC)c1ccc2ccc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cn12

Aglycone:
CCN(CC)c1ccc2ccc(C(N)=O)cn12.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.53
AlogP: 0.48 Num_rotatable_bonds: 8
MolWt: 475.52 Num_heavy_atoms: 32
TPSA: 176.59 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD41039
Formula: C13H17ON3

Smiles:
CCN(CC)c1ccc2ccc(C(N)=O)cn12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.31
AlogP: 1.88 Num_rotatable_bonds: 4
MolWt: 231.3 Num_heavy_atoms: 17
TPSA: 50.74 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O