Glycoside
GD153820
Name:
F-19848 AFormula:
C46H82O20Smiles:
CCCCCCC(O)CCCC(CCCCCCCCCCCCCC(O)C(=O)O)OC1OCC(O)C(O)C1OC1OCC(OC(C)=O)C(O)C1OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
CCCCCCC(O)CCCC(O)CCCCCCCCCCCCCC(O)C(=O)O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(OC2C(O)OCOC2OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 33 |
| MolWt: | 955.14 | Num_heavy_atoms: | 66 |
| TPSA: | 307.12 | 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 |
AD61143
Formula: C26H52O5
Smiles:
CCCCCCC(O)CCCC(O)CCCCCCCCCCCCCC(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 24 |
| MolWt: | 444.7 | Num_heavy_atoms: | 31 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
