Glycoside
GD152830
Name:
4-(acetyloxy)-2-({2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl}oxy)-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-3-yl butanoateFormula:
C34H56O15Smiles:
CCCCOC1OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C(O)C1OC1OC(C)C(OC(=O)C(C)C)C(OC(C)=O)C1OC(=O)CCCAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CCCC(=O)O.CCCCO.COC(=O)C(C)CSugarmoiety:
CC(=O)OC1OC(C)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 17 |
| MolWt: | 704.81 | Num_heavy_atoms: | 49 |
| TPSA: | 188.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00936
Formula: C4H10O
Smiles:
CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
