Glycoside
GD084686
Name:
NoneFormula:
C21H26O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccn(Cc3ccccc3)c(=O)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccn(Cc2ccccc2)c(=O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.45 | Num_heavy_atoms: | 30 |
| TPSA: | 130.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD37852
Formula: C15H16O3N2
Smiles:
O=C(NCCO)c1ccn(Cc2ccccc2)c(=O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.3 | Num_heavy_atoms: | 20 |
| TPSA: | 71.33 | NumAromaticRings: | 2 |
