Glycoside
GD097435
Name:
NoneFormula:
C22H24O7N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1nn(-c2ccccc2)c(=O)c2ncccc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.46 | Num_heavy_atoms: | 33 |
| TPSA: | 156.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD41437
Formula: C16H14O3N4
Smiles:
O=C(NCCO)c1nn(-c2ccccc2)c(=O)c2ncccc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.31 | Num_heavy_atoms: | 23 |
| TPSA: | 97.11 | NumAromaticRings: | 3 |
