Glycoside
GD127541
Name:
2-({6-[(acetyloxy)methyl]-2,4,5-trihydroxyoxan-3-yl}oxy)-5-[(3-hydroxy-2-methylbutanoyl)oxy]-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 11-hydroxytetradecanoateFormula:
C39H68O19Smiles:
CCCC(O)CCCCCCCCCC(=O)OC1C(OC2C(O)OC(COC(C)=O)C(O)C2O)OC(C)C(OC(=O)C(C)C(C)O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(O)C(C)C(=O)O.CCCC(O)CCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(O)OC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 22 |
| MolWt: | 840.95 | Num_heavy_atoms: | 58 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | 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 |
AD06792
Formula: C14H28O3
Smiles:
CCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
