Glycoside
GD106333
Name:
NoneFormula:
C26H24O8N4Smiles:
O=C(Nc1ccn([C@@H]2O[C@H](O)[C@@H](O)[C@@H]2CO)c(=O)n1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=OAglycone:
O=C(Nc1cc[nH]c(=O)n1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=OSugarmoiety:
OCC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.5 | Num_heavy_atoms: | 38 |
| TPSA: | 171.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD44150
Formula: C21H16O4N4
Smiles:
O=C(Nc1cc[nH]c(=O)n1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.38 | Num_heavy_atoms: | 29 |
| TPSA: | 112.23 | NumAromaticRings: | 3 |
