Glycoside
GD017627
Name:
NoneFormula:
C50H99O8NSSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CS)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 11.2 | Num_rotatable_bonds: | 44 |
| MolWt: | 874.41 | Num_heavy_atoms: | 60 |
| TPSA: | 159.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD12564
Formula: C44H89O3NS
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CS)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 13.6 | Num_rotatable_bonds: | 41 |
| MolWt: | 712.27 | Num_heavy_atoms: | 49 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
