Glycoside
...
GD014055

Name:
None

Formula:
C28H44O9N7P

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

Aglycone:
CCC(CC)OC(=O)C(C)NP(=O)(NC(C)C(=O)OC(CC)CC)OC.Nc1ncnn2cccc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 6 FractionCSP3: 0.68
AlogP: 1.7 Num_rotatable_bonds: 16
MolWt: 653.67 Num_heavy_atoms: 45
TPSA: 232.65 NumAromaticRings: 2

Unique Aglycone
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
AD10405
Formula: C17H35O6N2P

Smiles:
CCC(CC)OC(=O)C(C)NP(=O)(NC(C)C(=O)OC(CC)CC)OC
HBA: 8 RingCount: 0
HBD: 2 FractionCSP3: 0.88
AlogP: 3.16 Num_rotatable_bonds: 13
MolWt: 394.45 Num_heavy_atoms: 26
TPSA: 102.96 NumAromaticRings: 0

Sugarmoiety
SD01085

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