Glycoside
...
GD096534

Name:
None

Formula:
C19H27O10N3S

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc2c(cnn2[C@@H]2CCCCO2)c1

Aglycone:
COS(O)(O)O.NC(=O)c1ccc2c(cnn2C2CCCCO2)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.58
AlogP: 0.43 Num_rotatable_bonds: 6
MolWt: 489.5 Num_heavy_atoms: 33
TPSA: 195.99 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
AD41043
Formula: C13H15O2N3

Smiles:
NC(=O)c1ccc2c(cnn2C2CCCCO2)c1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.38
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 245.28 Num_heavy_atoms: 18
TPSA: 70.14 NumAromaticRings: 2

Sugarmoiety
SD00017

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