Glycoside
...
GD033150

Name:
None

Formula:
C25H34O8N5P

Smiles:
CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccccc1)OC(C)[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCOP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.Nc1ncnc2c1C=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.48
AlogP: 2.54 Num_rotatable_bonds: 10
MolWt: 563.55 Num_heavy_atoms: 39
TPSA: 180.28 NumAromaticRings: 3

Unique Aglycone
AD00138
Formula: C6H5N4

Smiles:
Nc1ncnc2c1C=C[N]2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.28 Num_rotatable_bonds: 0
MolWt: 133.13 Num_heavy_atoms: 10
TPSA: 65.9 NumAromaticRings: 1
AD19786
Formula: C14H22O5NP

Smiles:
CCOP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: 3.14 Num_rotatable_bonds: 8
MolWt: 315.31 Num_heavy_atoms: 21
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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