Glycoside
GD031467
Name:
NoneFormula:
C52H83O11N8ClSmiles:
NCCCCC(N)C(=O)N(CCCCCCCCCCCCO[C@H]1[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)[C@@H](N)C[C@@H](N)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O)Cc1c2ccccc2c(Cl)c2ccccc12Aglycone:
NCCCCC(N)C(=O)N(CCCCCCCCCCCCOC1C(O)C(N)CC(N)C1O)Cc1c2ccccc2c(Cl)c2ccccc12Sugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 19 | FractionCSP3: | 0.71 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 27 |
| MolWt: | 1019.72 | Num_heavy_atoms: | 71 |
| TPSA: | 349.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD20268
Formula: C40H60O4N5Cl
Smiles:
NCCCCC(N)C(=O)N(CCCCCCCCCCCCOC1C(O)C(N)CC(N)C1O)Cc1c2ccccc2c(Cl)c2ccccc12| HBA: | 9 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 21 |
| MolWt: | 698.39 | Num_heavy_atoms: | 49 |
| TPSA: | 174.08 | NumAromaticRings: | 3 |
