Glycoside
GD035373
Name:
NoneFormula:
C19H29O7N7Smiles:
CC(C)(CO)[C@H](O)C(=O)NCCc1cn(C[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(CCNC(=O)C(O)C(C)(C)CO)nn1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 467.48 | Num_heavy_atoms: | 33 |
| TPSA: | 210.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD22384
Formula: C11H20O3N4
Smiles:
Cn1cc(CCNC(=O)C(O)C(C)(C)CO)nn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 256.31 | Num_heavy_atoms: | 18 |
| TPSA: | 100.27 | NumAromaticRings: | 1 |
