Glycoside
...
GD094245

Name:
None

Formula:
C18H21O13NS

Smiles:
O=C(Cc1cc(=O)oc2cc3c(cc12)OCO3)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)Cc1cc(=O)oc2cc3c(cc12)OCO3

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.44
AlogP: -0.86 Num_rotatable_bonds: 6
MolWt: 491.43 Num_heavy_atoms: 33
TPSA: 217.61 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
AD36898
Formula: C12H9O5N

Smiles:
NC(=O)Cc1cc(=O)oc2cc3c(cc12)OCO3
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.17
AlogP: 0.55 Num_rotatable_bonds: 2
MolWt: 247.21 Num_heavy_atoms: 18
TPSA: 91.76 NumAromaticRings: 2

Sugarmoiety
SD00017

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