Glycoside
...
GD094106

Name:
None

Formula:
C18H26O11N2S

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@H]1CCCN1C(=O)Oc1ccccc1

Aglycone:
COS(O)(O)O.NC(=O)C1CCCN1C(=O)Oc1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.56
AlogP: -0.27 Num_rotatable_bonds: 6
MolWt: 478.48 Num_heavy_atoms: 32
TPSA: 198.48 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
AD34509
Formula: C12H14O3N2

Smiles:
NC(=O)C1CCCN1C(=O)Oc1ccccc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.14 Num_rotatable_bonds: 2
MolWt: 234.26 Num_heavy_atoms: 17
TPSA: 72.63 NumAromaticRings: 1

Sugarmoiety
SD00017

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