Glycoside
GD119735
Name:
2-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl 2-methylbutanoateFormula:
C29H38O11Smiles:
CCC(C)C(=O)OC1C(OC(CCc2ccc(O)c(O)c2)CC(=O)CCc2ccc(O)c(O)c2)OCC(O)C1OAglycone:
CCC(C)C(=O)O.O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 13 |
| MolWt: | 562.61 | Num_heavy_atoms: | 40 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02197
Formula: C19H22O6
Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
