Glycoside
GD156986
Name:
NoneFormula:
C38H66O9Smiles:
CCCC(=O)OC1C(O)COC(Oc2c(C)c(C)c(O)c(CCC(C)(O)CCCC(C)(O)CCCC(C)CCCC(C)C)c2C)C1OAglycone:
CCCC(=O)O.Cc1c(C)c(O)c(CCC(C)(O)CCCC(C)(O)CCCC(C)CCCC(C)C)c(C)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 6.72 | Num_rotatable_bonds: | 20 |
| MolWt: | 666.94 | Num_heavy_atoms: | 47 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD47295
Formula: C29H52O4
Smiles:
Cc1c(C)c(O)c(CCC(C)(O)CCCC(C)(O)CCCC(C)CCCC(C)C)c(C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 7.26 | Num_rotatable_bonds: | 15 |
| MolWt: | 464.73 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
