Glycoside
...
GD038522

Name:
Adp-D-Glycero-D-Manno-Heptose

Formula:
C17H27O16N5P2

Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O

Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 11 FractionCSP3: 0.71
AlogP: -4.56 Num_rotatable_bonds: 10
MolWt: 619.37 Num_heavy_atoms: 40
TPSA: 331.98 NumAromaticRings: 2

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
AD00305
Formula: CH6O7P2

Smiles:
COP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.16 Num_rotatable_bonds: 3
MolWt: 192.0 Num_heavy_atoms: 10
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00639

OC1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C(O)C1O