Glycoside
GD118123
Name:
NoneFormula:
C19H30O10N7PSmiles:
COC(=O)C(CCCCNP(=O)(O)OCC1OC(n2cnc3c(O)nc(=N)[nH]c32)C(O)C1O)N=C(C)OAglycone:
COC(=O)C(CCCCNP(=O)(O)OC)N=C(C)O.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 547.46 | Num_heavy_atoms: | 37 |
| TPSA: | 257.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
AD47198
Formula: C10H21O6N2P
Smiles:
COC(=O)C(CCCCNP(=O)(O)OC)N=C(C)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 296.26 | Num_heavy_atoms: | 19 |
| TPSA: | 117.45 | NumAromaticRings: | 0 |
