Glycoside
GD131831
Name:
2-(4-ethenyl-8-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,4H,4aH,5H,6H,7H,8H-pyrano[3,4-c]pyridin-7-yl)-3-phenylpropanoic acidFormula:
C25H31O10NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N(C(Cc3ccccc3)C(=O)O)CCC21Aglycone:
C=CC1C(O)OC=C2C(=O)N(C(Cc3ccccc3)C(=O)O)CCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 505.52 | Num_heavy_atoms: | 36 |
| TPSA: | 166.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD53393
Formula: C19H21O5N
Smiles:
C=CC1C(O)OC=C2C(=O)N(C(Cc3ccccc3)C(=O)O)CCC21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.38 | Num_heavy_atoms: | 25 |
| TPSA: | 87.07 | NumAromaticRings: | 1 |
