Glycoside
GD011114
Name:
NoneFormula:
C35H50O11N6Smiles:
CCCCCCCc1ccc(NC(=O)C2=CCN(C)[C@H]([C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H]3O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)C(=O)N2C)cc1Aglycone:
CCCCCCCc1ccc(NC(=O)C2=CCN(C)C(CO)C(=O)N2C)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 730.82 | Num_heavy_atoms: | 52 |
| TPSA: | 242.14 | NumAromaticRings: | 2 |
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 |
AD08521
Formula: C22H33O3N3
Smiles:
CCCCCCCc1ccc(NC(=O)C2=CCN(C)C(CO)C(=O)N2C)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 387.52 | Num_heavy_atoms: | 28 |
| TPSA: | 72.88 | NumAromaticRings: | 1 |
