Glycoside
GD012547
Name:
NoneFormula:
C21H22O6N4Smiles:
O=C(C=C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)NCCc1c[nH]c2ccccc12Aglycone:
C=CC(=O)NCCc1c[nH]c2ccccc12.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.43 | Num_heavy_atoms: | 31 |
| TPSA: | 149.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD09451
Formula: C13H14ON2
Smiles:
C=CC(=O)NCCc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 214.27 | Num_heavy_atoms: | 16 |
| TPSA: | 44.89 | NumAromaticRings: | 2 |
