Glycoside
GD117129
Name:
4,5-dihydroxy-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C29H30O12Smiles:
COc1cc(C=CC(=O)OC2C(c3c(O)cc(C)c4c(=O)cc(CC(C)=O)oc34)OC(CO)C(O)C2O)ccc1OAglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 193.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD06372
Formula: C13H12O4
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
