Glycoside
...
GD023186

Name:
None

Formula:
C25H29O9N4P

Smiles:
C[C@]1(O)[C@H](O)[C@H](COP(=O)(NCCOC(=O)c2ccccc2)Oc2ccccc2)O[C@H]1n1ccc(N)nc1=O

Aglycone:
COP(=O)(NCCOC(=O)c1ccccc1)Oc1ccccc1.Nc1cc[nH]c(=O)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.32
AlogP: 1.49 Num_rotatable_bonds: 11
MolWt: 560.5 Num_heavy_atoms: 39
TPSA: 184.46 NumAromaticRings: 3

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
AD15622
Formula: C16H18O5NP

Smiles:
COP(=O)(NCCOC(=O)c1ccccc1)Oc1ccccc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.19
AlogP: 3.27 Num_rotatable_bonds: 8
MolWt: 335.3 Num_heavy_atoms: 23
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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