Glycoside
GD013464
Name:
NoneFormula:
C32H44O12N6Smiles:
CCCCOc1ccc(NC(=O)C2=CCN(C)[C@H]([C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H]3O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)C(=O)N2C)cc1Aglycone:
CCCCOc1ccc(NC(=O)C2=CCN(C)C(CO)C(=O)N2C)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 704.73 | Num_heavy_atoms: | 50 |
| TPSA: | 251.37 | NumAromaticRings: | 2 |
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 |
AD10041
Formula: C19H27O4N3
Smiles:
CCCCOc1ccc(NC(=O)C2=CCN(C)C(CO)C(=O)N2C)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 361.44 | Num_heavy_atoms: | 26 |
| TPSA: | 82.11 | NumAromaticRings: | 1 |
