Glycoside
GD004159
Name:
NoneFormula:
C56H107O12NSSmiles:
CCCCCCCCC=CCCCCCCCCOCC(COCCOCCOCCOCCNC(=O)CCS[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O)OCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCOCC(COCCOCCOCCOCCNC(=O)CCS)OCCCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 10.57 | Num_rotatable_bonds: | 54 |
| MolWt: | 1018.53 | Num_heavy_atoms: | 70 |
| TPSA: | 174.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD03675
Formula: C50H97O7NS
Smiles:
CCCCCCCCC=CCCCCCCCCOCC(COCCOCCOCCOCCNC(=O)CCS)OCCCCCCCCC=CCCCCCCCC| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 12.97 | Num_rotatable_bonds: | 51 |
| MolWt: | 856.39 | Num_heavy_atoms: | 59 |
| TPSA: | 84.48 | NumAromaticRings: | 0 |
