Glycoside
...
GD012337

Name:
None

Formula:
C14H19O14N6P3

Smiles:
C[C@]1(O)[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cc(-c2ncon2)c2c(N)ncnc21

Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1C(c1ncon1)=C[N]2

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 8 FractionCSP3: 0.43
AlogP: -0.58 Num_rotatable_bonds: 9
MolWt: 588.26 Num_heavy_atoms: 37
TPSA: 305.16 NumAromaticRings: 3

Unique Aglycone
AD00534
Formula: CH7O10P3

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 271.98 Num_heavy_atoms: 14
TPSA: 159.82 NumAromaticRings: 0
AD09321
Formula: C8H5ON6

Smiles:
Nc1ncnc2c1C(c1ncon1)=C[N]2
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 0.08 Num_rotatable_bonds: 1
MolWt: 201.17 Num_heavy_atoms: 15
TPSA: 104.82 NumAromaticRings: 2

Sugarmoiety
SD00027

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