Glycoside
GD027711
Name:
2-(hydroxymethyl)-6-{[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxy}oxane-3,4,5-triolFormula:
C15H23O8NSmiles:
COCc1c(CO)cnc(C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COCc1c(CO)cnc(C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 345.35 | Num_heavy_atoms: | 24 |
| TPSA: | 141.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD18181
Formula: C9H13O3N
Smiles:
COCc1c(CO)cnc(C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 62.58 | NumAromaticRings: | 1 |
