Glycoside
GD097422
Name:
NoneFormula:
C23H25O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1nn(-c2ccccc2)c(=O)c2ccccc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.47 | Num_heavy_atoms: | 33 |
| TPSA: | 143.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD41430
Formula: C17H15O3N3
Smiles:
O=C(NCCO)c1nn(-c2ccccc2)c(=O)c2ccccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 309.33 | Num_heavy_atoms: | 23 |
| TPSA: | 84.22 | NumAromaticRings: | 3 |
