Glycoside
...
GD017865

Name:
None

Formula:
C21H25O12N2P

Smiles:
O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O[C@@H]2O[C@H](COCOP(=O)(O)O)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
COCOP(=O)(O)O.O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.43
AlogP: 0.56 Num_rotatable_bonds: 9
MolWt: 528.41 Num_heavy_atoms: 36
TPSA: 201.52 NumAromaticRings: 2

Unique Aglycone
AD06740
Formula: C14H12O3N2

Smiles:
O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O)cc1
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.14
AlogP: 2.99 Num_rotatable_bonds: 2
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 66.61 NumAromaticRings: 2
AD12699
Formula: C2H7O5P

Smiles:
COCOP(=O)(O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.3 Num_rotatable_bonds: 3
MolWt: 142.05 Num_heavy_atoms: 8
TPSA: 75.99 NumAromaticRings: 0

Sugarmoiety
SD00017

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