Glycoside
GD156196
Name:
Agrocin 108Formula:
C20H29O16N4PSmiles:
N=c1ccn(C2OC(COP(=O)(O)OC3=C(O)C(N)(CO)C(O)C3=O)C(OC3OCC(O)C(O)C3O)C2O)c(O)n1Aglycone:
COP(=O)(O)OC1=C(O)C(N)(CO)C(O)C1=O.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1COC(OC2C(O)OC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.65 |
| AlogP: | -5.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.44 | Num_heavy_atoms: | 41 |
| TPSA: | 330.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
AD61876
Formula: C7H12O8NP
Smiles:
COP(=O)(O)OC1=C(O)C(N)(CO)C(O)C1=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.15 | Num_heavy_atoms: | 17 |
| TPSA: | 159.54 | NumAromaticRings: | 0 |
