Glycoside
...
GD033446

Name:
None

Formula:
C24H42O8N7P

Smiles:
CCN(CC)P(=O)(N[C@H](C)C(=O)OCC(C)(C)C)OC[C@@H]1O[C@H](n2cnc3c(OC)nc(N)nc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCN(CC)P(=O)(NC(C)C(=O)OCC(C)(C)C)OC.COc1nc(N)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 5 FractionCSP3: 0.75
AlogP: 1.46 Num_rotatable_bonds: 12
MolWt: 587.62 Num_heavy_atoms: 40
TPSA: 196.41 NumAromaticRings: 2

Unique Aglycone
AD01261
Formula: C6H6ON5

Smiles:
COc1nc(N)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: -0.02 Num_rotatable_bonds: 1
MolWt: 164.15 Num_heavy_atoms: 12
TPSA: 87.49 NumAromaticRings: 1
AD21345
Formula: C13H29O4N2P

Smiles:
CCN(CC)P(=O)(NC(C)C(=O)OCC(C)(C)C)OC
HBA: 6 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 2.65 Num_rotatable_bonds: 8
MolWt: 308.36 Num_heavy_atoms: 20
TPSA: 67.87 NumAromaticRings: 0

Sugarmoiety
SD00027

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