Glycoside
GD129854
Name:
4-(acetyloxy)-6-cyclopentyl-2,5-dihydroxyoxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C22H28O9Smiles:
COc1cc(C=CC(=O)OC2C(O)OC(C3CCCC3)C(O)C2OC(C)=O)ccc1OAglycone:
C1CCCC1.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
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 |
AD45286
Formula: C5H10
Smiles:
C1CCCC1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 70.14 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
