Glycoside
GD002486
Name:
NoneFormula:
C42H46O10N2Smiles:
CCCCCCCCC(=O)Nc1ccc(C[C@@H]2C(=O)OC3c4cc(C)cc(O)c4C4=C(C(=O)c5c(O[C@@H]6C[C@H](O)[C@H](O)[C@H](C)O6)cccc5C4=O)N32)cc1Aglycone:
CCCCCCCCC(=O)Nc1ccc(CC2C(=O)OC3c4cc(C)cc(O)c4C4=C(C(=O)c5c(O)cccc5C4=O)N23)cc1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 738.83 | Num_heavy_atoms: | 54 |
| TPSA: | 171.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD02370
Formula: C36H36O7N2
Smiles:
CCCCCCCCC(=O)Nc1ccc(CC2C(=O)OC3c4cc(C)cc(O)c4C4=C(C(=O)c5c(O)cccc5C4=O)N23)cc1| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 608.69 | Num_heavy_atoms: | 45 |
| TPSA: | 133.24 | NumAromaticRings: | 3 |
