Glycoside
...
GD019408

Name:
None

Formula:
C22H32O9N7P

Smiles:
CCOC(=O)[C@H](C)NP(=O)(N[C@H](C)C(=O)OCC)OC[C@@H]1O[C@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@H]1O

Aglycone:
CCOC(=O)C(C)NP(=O)(NC(C)C(=O)OCC)OC.Nc1ncnn2cccc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 6 FractionCSP3: 0.59
AlogP: -0.64 Num_rotatable_bonds: 12
MolWt: 569.51 Num_heavy_atoms: 39
TPSA: 232.65 NumAromaticRings: 2

Unique Aglycone
AD02365
Formula: C11H23O6N2P

Smiles:
CCOC(=O)C(C)NP(=O)(NC(C)C(=O)OCC)OC
HBA: 8 RingCount: 0
HBD: 2 FractionCSP3: 0.82
AlogP: 0.82 Num_rotatable_bonds: 9
MolWt: 310.29 Num_heavy_atoms: 20
TPSA: 102.96 NumAromaticRings: 0
AD05072
Formula: C6H6N4

Smiles:
Nc1ncnn2cccc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.31 Num_rotatable_bonds: 0
MolWt: 134.14 Num_heavy_atoms: 10
TPSA: 56.21 NumAromaticRings: 2

Sugarmoiety
SD01085

N#CC1(O)OC(O)C(O)C1O