Glycoside
GD125320
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]oxan-3-yl 3-phenylprop-2-enoateFormula:
C29H30O10Smiles:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1C1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccccc1Aglycone:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.34 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.55 | Num_heavy_atoms: | 39 |
| TPSA: | 152.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44439
Formula: C14H14O4
Smiles:
COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 56.51 | NumAromaticRings: | 2 |
