Glycoside
GD131410
Name:
5-(hydroxymethyl)-2-{[2-(pyridin-3-yl)pyrrolidin-1-yl]methyl}oxolane-2,3,4-triolFormula:
C15H22O5N2Smiles:
OCC1OC(O)(CN2CCCC2c2cccnc2)C(O)C1OAglycone:
CN1CCCC1c1cccnc1Sugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.35 | Num_heavy_atoms: | 22 |
| TPSA: | 106.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD53240
Formula: C10H14N2
Smiles:
CN1CCCC1c1cccnc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.24 | Num_heavy_atoms: | 12 |
| TPSA: | 16.13 | NumAromaticRings: | 1 |
