Glycoside
GD006614
Name:
NoneFormula:
C50H97O8N3Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCc1cn([C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC)nn1Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCc1cn(C(CO)C(O)C(O)CCCCCCCCCCCCCC)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 10.59 | Num_rotatable_bonds: | 43 |
| MolWt: | 868.34 | Num_heavy_atoms: | 61 |
| TPSA: | 170.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD05461
Formula: C44H87O3N3
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCc1cn(C(CO)C(O)C(O)CCCCCCCCCCCCCC)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 12.77 | Num_rotatable_bonds: | 40 |
| MolWt: | 706.2 | Num_heavy_atoms: | 50 |
| TPSA: | 91.4 | NumAromaticRings: | 1 |
