Glycoside
GD024321
Name:
NoneFormula:
C49H96O14N2Smiles:
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CN(OC)[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC(=O)NC(CNOC)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 40 |
| MolWt: | 937.31 | Num_heavy_atoms: | 65 |
| TPSA: | 251.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD16248
Formula: C37H76O4N2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)NC(CNOC)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 9.7 | Num_rotatable_bonds: | 35 |
| MolWt: | 613.02 | Num_heavy_atoms: | 43 |
| TPSA: | 90.82 | NumAromaticRings: | 0 |
