Glycoside
GD142485
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-methylpropanamido)-9H-purin-6-yl N,N-diphenylcarbamateFormula:
C27H28O7N6Smiles:
CC(C)C(O)=Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1Aglycone:
CC(C)C(O)=Nc1nc2c(c(OC(=O)N(c3ccccc3)c3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.56 | Num_heavy_atoms: | 40 |
| TPSA: | 175.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD57334
Formula: C22H19O3N6
Smiles:
CC(C)C(O)=Nc1nc2c(c(OC(=O)N(c3ccccc3)c3ccccc3)n1)N=C[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.43 | Num_heavy_atoms: | 31 |
| TPSA: | 114.37 | NumAromaticRings: | 3 |
