Glycoside
GD126385
Name:
2-{[2-(2-aminoethylidene)-5,6-dihydroxycyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C14H23O8NSmiles:
NCC=C1C=CC(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
NCC=C1C=CC(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 333.34 | Num_heavy_atoms: | 23 |
| TPSA: | 165.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD51135
Formula: C8H13O3N
Smiles:
NCC=C1C=CC(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.2 | Num_heavy_atoms: | 12 |
| TPSA: | 86.71 | NumAromaticRings: | 0 |
