Glycoside
...
GD020626

Name:
None

Formula:
C28H35O8N6P

Smiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@](C)(O)[C@H]1O)Oc1cccc2ccccc12)C(=O)OC(C)(C)C

Aglycone:
COP(=O)(NC(C)C(=O)OC(C)(C)C)Oc1cccc2ccccc12.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.43
AlogP: 3.09 Num_rotatable_bonds: 9
MolWt: 614.6 Num_heavy_atoms: 43
TPSA: 193.17 NumAromaticRings: 4

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD11081
Formula: C18H24O5NP

Smiles:
COP(=O)(NC(C)C(=O)OC(C)(C)C)Oc1cccc2ccccc12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.39
AlogP: 4.29 Num_rotatable_bonds: 6
MolWt: 365.37 Num_heavy_atoms: 25
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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