Glycoside
...
GD016110

Name:
None

Formula:
C29H42O10N7P

Smiles:
CC(C)OC(=O)CCc1ccccc1O[P@@](=O)(N[C@H](C)C(=O)OC(C)C)OC[C@@H]1O[C@H](n2cnc3c(N)nc(N)nc32)[C@@](C)(O)[C@H]1O

Aglycone:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1CCC(=O)OC(C)C.Nc1nc(N)c2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.55
AlogP: 2.02 Num_rotatable_bonds: 14
MolWt: 679.67 Num_heavy_atoms: 47
TPSA: 245.49 NumAromaticRings: 3

Unique Aglycone
AD01628
Formula: C5H5N6

Smiles:
Nc1nc(N)c2c(n1)[N]C=N2
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.45 Num_rotatable_bonds: 0
MolWt: 149.14 Num_heavy_atoms: 11
TPSA: 104.28 NumAromaticRings: 1
AD11637
Formula: C19H30O7NP

Smiles:
COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1CCC(=O)OC(C)C
HBA: 8 RingCount: 1
HBD: 1 FractionCSP3: 0.58
AlogP: 3.63 Num_rotatable_bonds: 11
MolWt: 415.42 Num_heavy_atoms: 28
TPSA: 100.16 NumAromaticRings: 1

Sugarmoiety
SD00027

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