Glycoside
GD000391
Name:
NoneFormula:
C33H56O9N4Smiles:
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)OC(C)(C)CAglycone:
CCCCCCCCCCCCCCCC(=O)N1C(CN)OCC1C(=O)OC(C)(C)C.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 18 |
| MolWt: | 652.83 | Num_heavy_atoms: | 46 |
| TPSA: | 186.41 | 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 |
AD00442
Formula: C25H48O4N2
Smiles:
CCCCCCCCCCCCCCCC(=O)N1C(CN)OCC1C(=O)OC(C)(C)C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 16 |
| MolWt: | 440.67 | Num_heavy_atoms: | 31 |
| TPSA: | 81.86 | NumAromaticRings: | 0 |
