Glycoside
GD114172
Name:
2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3,4-dihydroquinazolin-4-oneFormula:
C17H22O7N2Smiles:
OCC1OC(OCCCc2nc(O)c3ccccc3n2)C(O)C(O)C1OAglycone:
OCCCc1nc(O)c2ccccc2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 145.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD44875
Formula: C11H12O2N2
Smiles:
OCCCc1nc(O)c2ccccc2n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.23 | Num_heavy_atoms: | 15 |
| TPSA: | 66.24 | NumAromaticRings: | 2 |
