Glycoside
...
GD008837

Name:
DIASTEREOMERIC MIX

Formula:
C24H35O9N4P

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

Aglycone:
CCC(CC)C(=O)OCCNP(=O)(OC)Oc1ccccc1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.54
AlogP: 1.61 Num_rotatable_bonds: 13
MolWt: 554.54 Num_heavy_atoms: 38
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
AD07006
Formula: C15H24O5NP

Smiles:
CCC(CC)C(=O)OCCNP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.53
AlogP: 3.39 Num_rotatable_bonds: 10
MolWt: 329.33 Num_heavy_atoms: 22
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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