Glycoside
GD114911
Name:
4,5-dihydroxy-2-[7-hydroxy-2-(2-hydroxypropyl)-5-methyl-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C29H32O11Smiles:
COc1ccc(C=CC(=O)OC2C(c3c(O)cc(C)c4c(=O)cc(CC(C)O)oc34)OC(CO)C(O)C2O)cc1Aglycone:
COc1ccc(C=CC(=O)O)cc1.Cc1cc(O)cc2oc(CC(C)O)cc(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.56 | Num_heavy_atoms: | 40 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD02513
Formula: C10H10O3
Smiles:
COc1ccc(C=CC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD45140
Formula: C13H14O4
Smiles:
Cc1cc(O)cc2oc(CC(C)O)cc(=O)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
