Glycoside
GD006537
Name:
NoneFormula:
C27H47O11N3S2Smiles:
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCSCCCCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=C(CCCCC1SCC2NC(=O)NC21)NCCSCCCCCOSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 19 |
| MolWt: | 653.82 | Num_heavy_atoms: | 43 |
| TPSA: | 208.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD05399
Formula: C17H31O3N3S2
Smiles:
O=C(CCCCC1SCC2NC(=O)NC21)NCCSCCCCCO| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 389.59 | Num_heavy_atoms: | 25 |
| TPSA: | 90.46 | NumAromaticRings: | 0 |
