Glycoside
GD081972
Name:
NoneFormula:
C19H22O8N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc(N2C(=O)C=CC2=O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 145.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD36813
Formula: C13H12O4N2
Smiles:
O=C(NCCO)c1ccc(N2C(=O)C=CC2=O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.71 | NumAromaticRings: | 1 |
