Glycoside
...
GD093919

Name:
None

Formula:
C19H30O10N2S

Smiles:
COc1cccc(C(=O)N2CCC(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)c1

Aglycone:
COS(O)(O)O.COc1cccc(C(=O)N2CCC(N)CC2)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.63
AlogP: -0.15 Num_rotatable_bonds: 7
MolWt: 478.52 Num_heavy_atoms: 32
TPSA: 181.41 NumAromaticRings: 1

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
AD35176
Formula: C13H18O2N2

Smiles:
COc1cccc(C(=O)N2CCC(N)CC2)c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.46
AlogP: 1.26 Num_rotatable_bonds: 2
MolWt: 234.3 Num_heavy_atoms: 17
TPSA: 55.56 NumAromaticRings: 1

Sugarmoiety
SD00017

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