Glycoside
GD134272
Name:
2-{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C14H21O8NSmiles:
Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1OAglycone:
Cc1ncc(CO)c(CO)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 331.32 | Num_heavy_atoms: | 23 |
| TPSA: | 152.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD54324
Formula: C8H11O3N
Smiles:
Cc1ncc(CO)c(CO)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 73.58 | NumAromaticRings: | 1 |
