Glycoside
GD125138
Name:
6-amino-3-(4-hydroxy-3-methylbut-2-en-1-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,7-dihydro-2H-purin-2-oneFormula:
C16H23O7N5Smiles:
CC(=CCn1c(O)nc(=N)c2c1ncn2C1OC(CO)C(O)C(O)C1O)COAglycone:
CC(=CCn1c(O)nc(=N)c2c1N=C[N]2)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.39 | Num_heavy_atoms: | 28 |
| TPSA: | 190.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD50603
Formula: C10H12O2N5
Smiles:
CC(=CCn1c(O)nc(=N)c2c1N=C[N]2)CO| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.24 | Num_heavy_atoms: | 17 |
| TPSA: | 108.59 | NumAromaticRings: | 1 |
