Glycoside
GD028723
Name:
NoneFormula:
C33H54O11N4Smiles:
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CN(C)[C@H]([C@H](O)[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:
CCCCCCCCCCCCCCCC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 19 |
| MolWt: | 682.81 | Num_heavy_atoms: | 48 |
| TPSA: | 211.93 | 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 |
AD14476
Formula: C25H46O6N2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 17 |
| MolWt: | 470.65 | Num_heavy_atoms: | 33 |
| TPSA: | 107.38 | NumAromaticRings: | 0 |
