Glycoside

GD039548
Name:
Lipoyl-AmpFormula:
C18H26O8N5PS2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OC(=O)CCCC[C@@H]2CCSS2)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)CCCCC1CCSS1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.67 |
AlogP: | 1.4 | Num_rotatable_bonds: | 10 |
MolWt: | 535.54 | Num_heavy_atoms: | 34 |
TPSA: | 192.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2HBA: | 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 |
AD24449
Formula: C9H17O5PS2
Smiles:
COP(=O)(O)OC(=O)CCCCC1CCSS1HBA: | 5 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.89 |
AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
MolWt: | 300.34 | Num_heavy_atoms: | 17 |
TPSA: | 72.83 | NumAromaticRings: | 0 |