Glycoside
GD125355
Name:
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}carbamoyl)amino]-3-hydroxybutanamideFormula:
C19H29O10N7Smiles:
CC(O)C(N=C(O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(O)=NC(CO)(CO)COAglycone:
CC(O)C(N=C(O)Nc1ncnc2c1N=C[N]2)C(O)=NC(CO)(CO)COSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 515.48 | Num_heavy_atoms: | 36 |
| TPSA: | 271.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD50695
Formula: C14H20O6N7
Smiles:
CC(O)C(N=C(O)Nc1ncnc2c1N=C[N]2)C(O)=NC(CO)(CO)CO| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 382.36 | Num_heavy_atoms: | 27 |
| TPSA: | 210.37 | NumAromaticRings: | 1 |
