Glycoside
GD138533
Name:
2-[4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H33O10N5Smiles:
CC(CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -3.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 515.52 | Num_heavy_atoms: | 36 |
| TPSA: | 224.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD19347
Formula: C10H14ON5
Smiles:
CC(CO)CCNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 220.26 | Num_heavy_atoms: | 16 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
