Glycoside
...
GD096871

Name:
None

Formula:
C18H22O10N3ClS

Smiles:
O=C(CCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)CCc1nc(-c2cccc(Cl)c2)no1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: 0.4 Num_rotatable_bonds: 8
MolWt: 495.89 Num_heavy_atoms: 32
TPSA: 207.86 NumAromaticRings: 2

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
AD37501
Formula: C12H10O2N3Cl

Smiles:
NC(=O)CCc1nc(-c2cccc(Cl)c2)no1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.81 Num_rotatable_bonds: 4
MolWt: 251.67 Num_heavy_atoms: 17
TPSA: 82.01 NumAromaticRings: 2

Sugarmoiety
SD00017

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