Glycoside
GD153694
Name:
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)-3,5-bis[(5-methylhexanoyl)oxy]oxan-4-yl 6-methylheptanoateFormula:
C34H60O14Smiles:
CC(C)CCCCC(=O)OC1C(OC(=O)CCCC(C)C)C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C1OC(=O)CCCC(C)CAglycone:
CC(C)CCCC(=O)O.CC(C)CCCC(=O)O.CC(C)CCCCC(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 21 |
| MolWt: | 692.84 | Num_heavy_atoms: | 48 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD46627
Formula: C7H14O2
Smiles:
CC(C)CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD51284
Formula: C8H16O2
Smiles:
CC(C)CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
