Glycoside
GD012772
Name:
NoneFormula:
C51H95O10N5SSmiles:
CCCCCCCCCCCCCCCC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12Aglycone:
CCCCCCCCCCCCCCCCC(CO)NC(=O)CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 7.19 | Num_rotatable_bonds: | 42 |
| MolWt: | 970.41 | Num_heavy_atoms: | 67 |
| TPSA: | 227.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD09595
Formula: C45H85O5N5S
Smiles:
CCCCCCCCCCCCCCCCC(CO)NC(=O)CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 9.36 | Num_rotatable_bonds: | 39 |
| MolWt: | 808.27 | Num_heavy_atoms: | 56 |
| TPSA: | 148.66 | NumAromaticRings: | 0 |
