Glycoside
GD129734
Name:
2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[({4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclopent-2-en-1-yl}amino)methyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-oneFormula:
C23H33O11N5Smiles:
N=c1nc(O)c2c(CNC3C=CC(O)C3C3OC(CO)C(O)C(O)C3O)cn(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C=C2CNC1C=CC(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.65 |
| AlogP: | -4.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 555.54 | Num_heavy_atoms: | 39 |
| TPSA: | 270.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD52559
Formula: C12H14O2N5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=C2CNC1C=CC(O)C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.28 | Num_heavy_atoms: | 19 |
| TPSA: | 119.12 | NumAromaticRings: | 1 |
