Glycoside
GD121909
Name:
Agrocin 84Formula:
C22H36O16N6P2Smiles:
CC(C)C(O)C(O)C(O)=NP(=O)(O)OCC1CC(O)C(n2cnc3c(NP(=O)(O)OC4OC(C(O)CO)C(O)C4O)ncnc32)O1Aglycone:
CC(C)C(O)C(O)C(O)=NP(=O)(O)OCC1CC(O)C(n2cnc3c(NP(=O)(O)O)ncnc32)O1Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.73 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 702.5 | Num_heavy_atoms: | 46 |
| TPSA: | 341.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD49096
Formula: C16H26O11N6P2
Smiles:
CC(C)C(O)C(O)C(O)=NP(=O)(O)OCC1CC(O)C(n2cnc3c(NP(=O)(O)O)ncnc32)O1| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.36 | Num_heavy_atoms: | 35 |
| TPSA: | 262.2 | NumAromaticRings: | 2 |
