Glycoside
GD123617
Name:
11-({3-[(3-{[4-({3,4-dihydroxy-5-[(3-hydroxy-2-methylbutanoyl)oxy]-6-methyloxan-2-yl}oxy)-5-hydroxy-6-methyl-3-[(2-methylbutanoyl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)hexadecanoic acidFormula:
C50H88O23Smiles:
CCCCCC(CCCCCCCCCC(=O)O)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(OC2OC(C)C(OC(=O)C(C)C(C)O)C(O)C2O)C1OC(=O)C(C)CCAglycone:
CC(O)C(C)C(=O)O.CCC(C)C(=O)O.CCCCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(OC4C(O)OC(C)C(O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 29 |
| MolWt: | 1057.23 | Num_heavy_atoms: | 73 |
| TPSA: | 345.81 | 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 |
AD02264
Formula: C5H10O3
Smiles:
CC(O)C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD02342
Formula: C16H32O3
Smiles:
CCCCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 272.43 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
