Glycoside
GD026463
Name:
NoneFormula:
C32H56O7N4SSmiles:
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCSC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 24 |
| MolWt: | 640.89 | Num_heavy_atoms: | 44 |
| TPSA: | 163.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD17442
Formula: C27H48O3N4S
Smiles:
CCCCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)Nc1cc[nH]c(=O)n1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 22 |
| MolWt: | 508.77 | Num_heavy_atoms: | 35 |
| TPSA: | 103.95 | NumAromaticRings: | 1 |
