Glycoside
...
GD017299

Name:
None

Formula:
C20H19O9NPCl

Smiles:
N#Cc1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](OP(=O)(O)O)[C@H](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: 5 FractionCSP3: 0.32
AlogP: 1.17 Num_rotatable_bonds: 6
MolWt: 471.79 Num_heavy_atoms: 31
TPSA: 169.7 NumAromaticRings: 2

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
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

Sugarmoiety
SD00003

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