Glycoside
GD040530
Name:
Isopentenyl-AmpFormula:
C15H22O7N5PSmiles:
CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
CC(C)=CCNc1ncnc2c1N=C[N]2.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.34 | Num_heavy_atoms: | 28 |
| TPSA: | 172.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00133
Formula: C10H12N5
Smiles:
CC(C)=CCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
