Glycoside
GD150657
Name:
3'-L-Prolyl-AmpFormula:
C15H21O8N6PSmiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OC(=O)C2CCCN2)C1OAglycone:
COP(=O)(O)O.Nc1ncnc2c1N=C[N]2.O=C(O)C1CCCN1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.34 | Num_heavy_atoms: | 30 |
| TPSA: | 204.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
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 |
AD60156
Formula: C5H9O2N
Smiles:
O=C(O)C1CCCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
