Glycoside
GD138788
Name:
2-[2-(5,7-dihydroxy-8-methoxy-4-oxo-4H-chromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C31H28O15Smiles:
COc1c(O)cc(O)c2c(=O)cc(-c3c(O)cccc3OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)c(O)c3)oc12Aglycone:
COc1c(O)cc(O)c2c(=O)cc(-c3c(O)cccc3O)oc12.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.55 | Num_heavy_atoms: | 46 |
| TPSA: | 246.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD55993
Formula: C16H12O7
Smiles:
COc1c(O)cc(O)c2c(=O)cc(-c3c(O)cccc3O)oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
