Glycoside
GD155665
Name:
AgrocinFormula:
C22H36O17N6P2Smiles:
CC(C)C(O)C(O)C(O)=NP(=O)(O)OCC1OC(n2cnc3c(NP(=O)(O)OC4OC(C(O)CO)C(O)C4O)ncnc32)C(O)C1OAglycone:
COP(=O)(O)N=C(O)C(O)C(O)C(C)C.O=P(O)(O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.73 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 14 |
| MolWt: | 718.5 | Num_heavy_atoms: | 47 |
| TPSA: | 361.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD24103
Formula: C5H5O3N5P
Smiles:
O=P(O)(O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.1 | Num_heavy_atoms: | 14 |
| TPSA: | 121.8 | NumAromaticRings: | 1 |
AD61723
Formula: C7H16O6NP
Smiles:
COP(=O)(O)N=C(O)C(O)C(O)C(C)C| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 241.18 | Num_heavy_atoms: | 15 |
| TPSA: | 119.58 | NumAromaticRings: | 0 |
