Glycoside
GD011457
Name:
NoneFormula:
C33H52O5SSmiles:
CCCCCCCCC=CCCCCCCCC(=O)CC1OC(SCC=Cc2ccccc2)C(O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(C)=O.SCC=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 7.24 | Num_rotatable_bonds: | 21 |
| MolWt: | 560.84 | Num_heavy_atoms: | 39 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD01354
Formula: C9H10S
Smiles:
SCC=Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.25 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD08761
Formula: C19H36O
Smiles:
CCCCCCCCC=CCCCCCCCC(C)=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.84 |
| AlogP: | 6.61 | Num_rotatable_bonds: | 15 |
| MolWt: | 280.5 | Num_heavy_atoms: | 20 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
