Glycoside
...
GD097113

Name:
None

Formula:
C20H28O10NClS

Smiles:
O=C(CC1(c2cccc(Cl)c2)CCOCC1)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)CC1(c2cccc(Cl)c2)CCOCC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.63
AlogP: 0.86 Num_rotatable_bonds: 7
MolWt: 497.95 Num_heavy_atoms: 32
TPSA: 178.17 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
AD37649
Formula: C14H16O2NCl

Smiles:
NC(=O)CC1(c2cccc(Cl)c2)CCOCC1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.46
AlogP: 2.26 Num_rotatable_bonds: 3
MolWt: 253.73 Num_heavy_atoms: 17
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00017

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