Glycoside
...
GD093551

Name:
None

Formula:
C13H21O12N4P

Smiles:
Nc1c(C(=O)N[C@@H](CC(=O)O)C(=O)O)ncn1[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]1O

Aglycone:
CO[PH](O)(O)O.NC1=C(C(=O)NC(CC(=O)O)C(=O)O)N=C[N]1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 10 FractionCSP3: 0.54
AlogP: -3.85 Num_rotatable_bonds: 9
MolWt: 456.3 Num_heavy_atoms: 30
TPSA: 267.15 NumAromaticRings: 1

Unique Aglycone
AD01852
Formula: CH7O4P

Smiles:
CO[PH](O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.98 Num_rotatable_bonds: 1
MolWt: 114.04 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD24556
Formula: C8H9O5N4

Smiles:
NC1=C(C(=O)NC(CC(=O)O)C(=O)O)N=C[N]1
HBA: 9 RingCount: 1
HBD: 5 FractionCSP3: 0.25
AlogP: -2.2 Num_rotatable_bonds: 5
MolWt: 241.18 Num_heavy_atoms: 17
TPSA: 156.18 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O