Glycoside
GD028260
Name:
NoneFormula:
C45H79O7NSSmiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CSC2OC(C)C(O)C(O)C2O)cc(C(=O)O)c1Aglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS)cc(C(=O)O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 10.97 | Num_rotatable_bonds: | 33 |
| MolWt: | 778.19 | Num_heavy_atoms: | 54 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD18490
Formula: C39H69O3NS
Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS)cc(C(=O)O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 12.34 | Num_rotatable_bonds: | 31 |
| MolWt: | 632.05 | Num_heavy_atoms: | 44 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
