Glycoside
...
GD094120

Name:
None

Formula:
C19H28O10N2S

Smiles:
Cc1cccc(C)c1N1C[C@@H](C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1=O

Aglycone:
COS(O)(O)O.Cc1cccc(C)c1N1CC(C(N)=O)CC1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.58
AlogP: -0.26 Num_rotatable_bonds: 6
MolWt: 476.5 Num_heavy_atoms: 32
TPSA: 189.25 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
AD34514
Formula: C13H16O2N2

Smiles:
Cc1cccc(C)c1N1CC(C(N)=O)CC1=O
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 1.14 Num_rotatable_bonds: 2
MolWt: 232.28 Num_heavy_atoms: 17
TPSA: 63.4 NumAromaticRings: 1

Sugarmoiety
SD00017

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