Glycoside
GD024976
Name:
NoneFormula:
C70H131O36N6FSmiles:
O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COAglycone:
[NH]CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=OSugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 42 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.9 |
| AlogP: | -5.4 | Num_rotatable_bonds: | 83 |
| MolWt: | 1651.82 | Num_heavy_atoms: | 113 |
| TPSA: | 528.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD16609
Formula: C58H110O25N6F
Smiles:
[NH]CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O| HBA: | 31 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 74 |
| MolWt: | 1310.53 | Num_heavy_atoms: | 90 |
| TPSA: | 342.72 | NumAromaticRings: | 1 |
