Glycoside
GD117778
Name:
5-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-2-{[(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-en-1-yl)oxy]methylidene}pentanoic acidFormula:
C30H42O18Smiles:
C=CCC(OC=C(CCCOC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1)C(=O)O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CCC(O)OC=C(CCCOC(=O)c1ccc(O)c(OC)c1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 17 |
| MolWt: | 690.65 | Num_heavy_atoms: | 48 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD47006
Formula: C18H22O8
Smiles:
C=CCC(O)OC=C(CCCOC(=O)c1ccc(O)c(OC)c1)C(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
