Glycoside
...
GD094189

Name:
None

Formula:
C18H28O11N2S

Smiles:
O=C1C=CC(=O)N1C[C@H]1CC[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

Aglycone:
COS(O)(O)O.NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.72
AlogP: -1.2 Num_rotatable_bonds: 7
MolWt: 480.49 Num_heavy_atoms: 32
TPSA: 206.32 NumAromaticRings: 0

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
AD34542
Formula: C12H16O3N2

Smiles:
NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.58
AlogP: 0.2 Num_rotatable_bonds: 3
MolWt: 236.27 Num_heavy_atoms: 17
TPSA: 80.47 NumAromaticRings: 0

Sugarmoiety
SD00017

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