Glycoside
GD013660
Name:
NoneFormula:
C41H36O9N3FSmiles:
O=C(Nc1ccn([C@@H]2O[C@H](CO[C@@H]3C=C(F)C(=O)[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)O3)[C@H](O)[C@H]2O)c(=O)n1)c1ccccc1Aglycone:
COC1C=C(F)C(=O)C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.O=C(Nc1cc[nH]c(=O)n1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 733.75 | Num_heavy_atoms: | 54 |
| TPSA: | 158.44 | NumAromaticRings: | 5 |
Unique Aglycone
AD05677
Formula: C11H9O2N3
Smiles:
O=C(Nc1cc[nH]c(=O)n1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.21 | Num_heavy_atoms: | 16 |
| TPSA: | 74.85 | NumAromaticRings: | 2 |
AD10154
Formula: C26H23O4F
Smiles:
COC1C=C(F)C(=O)C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.46 | Num_heavy_atoms: | 31 |
| TPSA: | 44.76 | NumAromaticRings: | 3 |
