Glycoside
GD148715
Name:
4,5-dihydroxy-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C29H32O12Smiles:
COc1cc(C=CC(=O)OC2C(c3c(O)cc(C)c4c3OC(CC(C)=O)CC4=O)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: | 0.41 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
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 |
AD59500
Formula: C13H14O4
Smiles:
CC(=O)CC1CC(=O)c2c(C)cc(O)cc2O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
