Glycoside
GD140270
Name:
{6-hydroxy-5-[(3-methylbutanoyl)oxy]-2-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-1aH,1bH,4H,5H,5aH,6H,6aH-indeno[1,2-b]oxiren-6-yl}methyl 3-methylbutanoateFormula:
C33H52O17Smiles:
CC(C)CC(=O)OCC1(O)C2OC2C2C(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=CCC(OC(=O)CC(C)C)C21Aglycone:
CC(C)CC(=O)OCC1(O)C2OC2C2C(CO)=CCC(OC(=O)CC(C)C)C21Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 720.76 | Num_heavy_atoms: | 50 |
| TPSA: | 263.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD56563
Formula: C21H32O7
Smiles:
CC(C)CC(=O)OCC1(O)C2OC2C2C(CO)=CCC(OC(=O)CC(C)C)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 105.59 | NumAromaticRings: | 0 |
