Glycoside
GD001552
Name:
NoneFormula:
C57H109O10NSmiles:
CCCCCCCCCCCCCCCC(=O)NC[C@@H]1O[C@H](OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)NC.CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 13.83 | Num_rotatable_bonds: | 50 |
| MolWt: | 968.5 | Num_heavy_atoms: | 68 |
| TPSA: | 160.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD01044
Formula: C35H68O5
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 32 |
| MolWt: | 568.92 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
AD01548
Formula: C17H35ON
Smiles:
CCCCCCCCCCCCCCCC(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 14 |
| MolWt: | 269.47 | Num_heavy_atoms: | 19 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
