Glycoside
...
GD096747

Name:
None

Formula:
C18H22O8N3ClS2

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2nc(-c3ccc(Cl)s3)nc3c2CCC3)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1nc(-c2ccc(Cl)s2)nc2c1CCC2

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 7 FractionCSP3: 0.53
AlogP: 1.72 Num_rotatable_bonds: 6
MolWt: 495.96 Num_heavy_atoms: 31
TPSA: 177.65 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
AD41138
Formula: C12H10N3ClS

Smiles:
Nc1nc(-c2ccc(Cl)s2)nc2c1CCC2
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.27
AlogP: 2.93 Num_rotatable_bonds: 1
MolWt: 251.74 Num_heavy_atoms: 16
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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