Glycoside
GD121096
Name:
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyl-2-({24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.1³,â·]hexacosan-6-yl}oxy)oxan-3-yl 2-methylbutanoateFormula:
C50H86O20Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(OC(C)C2OC2OC(C)C(OC3OC(C)C(OC(=O)C(C)CC)C(O)C3O)C(O)C2OC(=O)C(C)CC)OC2C(C)OC(O1)C(O)C2OAglycone:
CCC(C)C(=O)O.CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(C)OC(O1)C(O)C3O)C2OSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 14 |
| MolWt: | 1007.22 | Num_heavy_atoms: | 70 |
| TPSA: | 274.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=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 |
AD48710
Formula: C28H50O10
Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(C)OC(O1)C(O)C3O)C2O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.7 | Num_heavy_atoms: | 38 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
