Glycoside
GD023642
Name:
NoneFormula:
C34H59O9N5Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H](C(=O)N(C)C)[C@H]([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)ON1CCCNAglycone:
CCCCCCCCCCCCCCCC(=O)OCC1C(C(=O)N(C)C)CON1CCCN.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 22 |
| MolWt: | 681.87 | Num_heavy_atoms: | 48 |
| TPSA: | 189.65 | 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 |
AD15880
Formula: C26H51O4N3
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1C(C(=O)N(C)C)CON1CCCN| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 20 |
| MolWt: | 469.71 | Num_heavy_atoms: | 33 |
| TPSA: | 85.1 | NumAromaticRings: | 0 |
