Glycoside
GD014578
Name:
NoneFormula:
C29H48O9N4Smiles:
CCCCCCCCCCCCCCCC(=O)N1[C@H](CN)O[C@@H]([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H]1C(=O)OAglycone:
CCCCCCCCCCCCCCCC(=O)N1C(CN)OCC1C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 18 |
| MolWt: | 596.72 | Num_heavy_atoms: | 42 |
| TPSA: | 197.41 | NumAromaticRings: | 1 |
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 |
AD10698
Formula: C21H40O4N2
Smiles:
CCCCCCCCCCCCCCCC(=O)N1C(CN)OCC1C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 16 |
| MolWt: | 384.56 | Num_heavy_atoms: | 27 |
| TPSA: | 92.86 | NumAromaticRings: | 0 |
