Glycoside
GD032108
Name:
NoneFormula:
C19H21O7N5Smiles:
Cn1c(=O)n(C)c2cc(CNC(=O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)ccc21Aglycone:
Cn1c(=O)n(C)c2cc(CNC=O)ccc21.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.41 | Num_heavy_atoms: | 31 |
| TPSA: | 160.58 | 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 |
AD20619
Formula: C11H13O2N3
Smiles:
Cn1c(=O)n(C)c2cc(CNC=O)ccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.24 | Num_heavy_atoms: | 16 |
| TPSA: | 56.03 | NumAromaticRings: | 2 |
