Glycoside
GD016877
Name:
NoneFormula:
C46H88O11N2SSmiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCCO[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(CSCC(N)C(=O)NCCO)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 7.4 | Num_rotatable_bonds: | 42 |
| MolWt: | 877.28 | Num_heavy_atoms: | 60 |
| TPSA: | 207.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD06681
Formula: C40H78O6N2S
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CSCC(N)C(=O)NCCO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 9.57 | Num_rotatable_bonds: | 38 |
| MolWt: | 715.14 | Num_heavy_atoms: | 49 |
| TPSA: | 127.95 | NumAromaticRings: | 0 |
