Glycoside
...
GD017508

Name:
None

Formula:
C22H31O9N4P

Smiles:
CC(C)C(=O)OCCNP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
COP(=O)(NCCOC(=O)C(C)C)Oc1ccccc1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.5
AlogP: 0.83 Num_rotatable_bonds: 11
MolWt: 526.48 Num_heavy_atoms: 36
TPSA: 184.46 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD12485
Formula: C13H20O5NP

Smiles:
COP(=O)(NCCOC(=O)C(C)C)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.46
AlogP: 2.61 Num_rotatable_bonds: 8
MolWt: 301.28 Num_heavy_atoms: 20
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O