Glycoside
GD028137
Name:
NoneFormula:
C22H36O8N2S4Smiles:
CSCC[C@H](N)CSSCC(Cc1ccsc1)C(=O)N[C@H](C)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C(C)NC(=O)C(CSSCC(N)CCSC)Cc1ccsc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 15 |
| MolWt: | 584.8 | Num_heavy_atoms: | 36 |
| TPSA: | 171.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD18422
Formula: C17H28O3N2S4
Smiles:
COC(=O)C(C)NC(=O)C(CSSCC(N)CCSC)Cc1ccsc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 13 |
| MolWt: | 436.69 | Num_heavy_atoms: | 26 |
| TPSA: | 81.42 | NumAromaticRings: | 1 |
