Glycoside
GD142958
Name:
5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl 3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C31H38O18Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC(=O)C=Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(OC(=O)C=Cc3ccc(O)c(O)c3)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.63 | Num_heavy_atoms: | 49 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD52791
Formula: C19H18O8
Smiles:
C=CC1C(O)OC=C2C(=O)OC(OC(=O)C=Cc3ccc(O)c(O)c3)CC21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
