Glycoside
GD141391
Name:
(octahydro-1H-quinolizin-1-yl)methyl 3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C25H35O8NSmiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)OCC1CCCN2CCCCC12Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1CCCN2CCCCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.55 | Num_heavy_atoms: | 34 |
| TPSA: | 128.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD45746
Formula: C19H25O3N
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1CCCN2CCCCC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.41 | Num_heavy_atoms: | 23 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
