Glycoside
GD123643
Name:
21-{[5-(acetyloxy)-3-{[3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-2,16,17-trihydroxyhexacosanoic acidFormula:
C46H82O21Smiles:
CCCCCC(CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O)OC1OCC(OC(C)=O)C(O)C1OC1OCC(O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(OC2C(OC3C(O)OCOC3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 33 |
| MolWt: | 971.14 | Num_heavy_atoms: | 67 |
| TPSA: | 327.35 | 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 |
AD49916
Formula: C26H52O6
Smiles:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 24 |
| MolWt: | 460.7 | Num_heavy_atoms: | 32 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
