Glycoside
...
GD000336

Name:
None

Formula:
C20H17O9NPCl

Smiles:
N#Cc1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OP(=O)([O-])[O-])[C@H]3O)c(Cl)c2)cc1

Aglycone:
N#Cc1ccc(-c2ccc(O)c(Cl)c2)cc1.O=P([O-])([O-])O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 3 FractionCSP3: 0.32
AlogP: -0.09 Num_rotatable_bonds: 6
MolWt: 469.77 Num_heavy_atoms: 31
TPSA: 175.36 NumAromaticRings: 2

Unique Aglycone
AD00380
Formula: C14H8ONCl

Smiles:
N#Cc1ccc(-c2ccc(O)c(Cl)c2)cc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 3.58 Num_rotatable_bonds: 1
MolWt: 229.67 Num_heavy_atoms: 16
TPSA: 44.02 NumAromaticRings: 2
AD00381
Formula: HO4P

Smiles:
O=P([O-])([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -2.19 Num_rotatable_bonds: 0
MolWt: 95.98 Num_heavy_atoms: 5
TPSA: 83.42 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O