Glycoside
GD033182
Name:
NoneFormula:
C38H65O12N5Smiles:
CCCCCCCCCCCCCCCCC[C@@H]1CN[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(=O)N(C)[C@H]1C(=O)OAglycone:
CCCCCCCCCCCCCCCCCC1CNC(CO)C(=O)N(C)C1C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.84 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 23 |
| MolWt: | 783.96 | Num_heavy_atoms: | 55 |
| TPSA: | 259.13 | 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 |
AD21202
Formula: C25H48O4N2
Smiles:
CCCCCCCCCCCCCCCCCC1CNC(CO)C(=O)N(C)C1C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 18 |
| MolWt: | 440.67 | Num_heavy_atoms: | 31 |
| TPSA: | 89.87 | NumAromaticRings: | 0 |
