Glycoside
...
GD028239

Name:
None

Formula:
C27H32O8N5P

Smiles:
COC(=O)[C@H](C)NP(=O)(Oc1cccc2ccccc12)OC(C)[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCOP(=O)(NC(C)C(=O)OC)Oc1cccc2ccccc12.Nc1ncnc2c1C=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.37
AlogP: 2.92 Num_rotatable_bonds: 9
MolWt: 585.55 Num_heavy_atoms: 41
TPSA: 180.28 NumAromaticRings: 4

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
AD18476
Formula: C16H20O5NP

Smiles:
CCOP(=O)(NC(C)C(=O)OC)Oc1cccc2ccccc12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.31
AlogP: 3.51 Num_rotatable_bonds: 7
MolWt: 337.31 Num_heavy_atoms: 23
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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