Glycoside
GD136877
Name:
(6-{[2,5-bis(hydroxymethyl)-3,4-bis[(3-methylbutanoyl)oxy]oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-methylbutanoateFormula:
C27H46O14Smiles:
CC(C)CC(=O)OCC1OC(OC2(CO)OC(CO)C(OC(=O)CC(C)C)C2OC(=O)CC(C)C)C(O)C(O)C1OAglycone:
CC(C)CC(=O)O.CC(C)CC(=O)O.COC(=O)CC(C)CSugarmoiety:
OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)OC1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 14 |
| MolWt: | 594.65 | Num_heavy_atoms: | 41 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=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 |
AD01663
Formula: C6H12O2
Smiles:
COC(=O)CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
