Glycoside
GD125031
Name:
(5-hydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2-methylpropanoyl)oxy]oxolan-2-yl]oxy}-3,4-bis[(2-methylpropanoyl)oxy]oxan-2-yl)methyl decanoateFormula:
C34H58O15Smiles:
CCCCCCCCCC(=O)OCC1OC(OC2(CO)OC(CO)C(O)C2OC(=O)C(C)C)C(O)C(OC(=O)C(C)C)C1OC(=O)C(C)CAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CCCCCCCCCC(=O)OCSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 20 |
| MolWt: | 706.82 | Num_heavy_atoms: | 49 |
| TPSA: | 213.81 | 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 |
AD02592
Formula: C11H22O2
Smiles:
CCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 186.29 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
