Glycoside
...
GD027430

Name:
None

Formula:
C18H29O9N6P

Smiles:
CC(C)O[C@@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H](COP(=O)(O)NCC(=O)O)[C@H]1OC(C)C

Aglycone:
COP(=O)(O)NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:
CC(C)OC1C(O)OC(O)C1OC(C)C

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 6 FractionCSP3: 0.67
AlogP: -0.02 Num_rotatable_bonds: 11
MolWt: 504.44 Num_heavy_atoms: 34
TPSA: 213.14 NumAromaticRings: 2

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD07417
Formula: C3H8O5NP

Smiles:
COP(=O)(O)NCC(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.67
AlogP: -0.59 Num_rotatable_bonds: 4
MolWt: 169.07 Num_heavy_atoms: 10
TPSA: 95.86 NumAromaticRings: 0

Sugarmoiety
SD00754

CC(C)OC1C(O)OC(O)C1OC(C)C