Glycoside
GD156444
Name:
N-({[5-(6-amino-8-hydroxy-9H-purin-9-yl)-3,4-dihydroxy-2,3,4-trimethyloxolan-2-yl]methoxy}(hydroxy)phosphoryl)pyrrolidine-2-carboximidic acidFormula:
C18H28O8N7PSmiles:
CC1(COP(=O)(O)N=C(O)C2CCCN2)OC(n2c(O)nc3c(N)ncnc32)C(C)(O)C1(C)OAglycone:
COP(=O)(O)N=C(O)C1CCCN1.Nc1ncnc2c1N=C(O)[N]2Sugarmoiety:
CC1(O)OC(O)C(C)(O)C1(C)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 501.44 | Num_heavy_atoms: | 34 |
| TPSA: | 230.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD09433
Formula: C5H4ON5
Smiles:
Nc1ncnc2c1N=C(O)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD58372
Formula: C6H13O4N2P
Smiles:
COP(=O)(O)N=C(O)C1CCCN1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.15 | Num_heavy_atoms: | 13 |
| TPSA: | 91.15 | NumAromaticRings: | 0 |
