Glycoside
...
GD018300

Name:
None

Formula:
C18H23O16N2ClS3

Smiles:
CO[C@@H]1O[C@H](CNC(=O)CNC(=O)Cc2cccc(Cl)c2)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:
CNC(=O)CNC(=O)Cc1cccc(Cl)c1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 2
HBD: 5 FractionCSP3: 0.53
AlogP: -1.95 Num_rotatable_bonds: 13
MolWt: 643.02 Num_heavy_atoms: 39
TPSA: 267.46 NumAromaticRings: 1

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD07632
Formula: C12H13O2N2Cl

Smiles:
CNC(=O)CNC(=O)Cc1cccc(Cl)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.27
AlogP: 0.74 Num_rotatable_bonds: 4
MolWt: 240.69 Num_heavy_atoms: 16
TPSA: 58.2 NumAromaticRings: 1

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O