Glycoside
...
GD094347

Name:
None

Formula:
C20H30O10N2S

Smiles:
CN1[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C[C@]2(C)COc3ccccc3[C@H]12

Aglycone:
CN1C(C(N)=O)CC2(C)COc3ccccc3C12.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.65
AlogP: -0.09 Num_rotatable_bonds: 5
MolWt: 490.53 Num_heavy_atoms: 33
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
AD36925
Formula: C14H18O2N2

Smiles:
CN1C(C(N)=O)CC2(C)COc3ccccc3C12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: 1.32 Num_rotatable_bonds: 1
MolWt: 246.31 Num_heavy_atoms: 18
TPSA: 55.56 NumAromaticRings: 1

Sugarmoiety
SD00017

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