Glycoside
GD008385
Name:
NoneFormula:
C37H71O9NSmiles:
CCCCCCCCC=CCCCCCCCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](COCC(CO)(CO)CO)O[C@H]1OCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCO.COCC(CO)(CO)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 31 |
| MolWt: | 673.97 | Num_heavy_atoms: | 47 |
| TPSA: | 157.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD00033
Formula: C18H35ON
Smiles:
CCCCCCCCC=CCCCCCCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 15 |
| MolWt: | 281.48 | Num_heavy_atoms: | 20 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD06485
Formula: C6H14O4
Smiles:
COCC(CO)(CO)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 150.17 | Num_heavy_atoms: | 10 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
