Glycoside
GD032031
Name:
NoneFormula:
C33H36O10N6Smiles:
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H](C(=O)N(C)CC(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)N1CAglycone:
CNC(=O)CN(C)C(=O)C1C2C(=O)N(c3ccccc3)C(=O)C2C(c2ccccc2OC)N1C.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.68 | Num_heavy_atoms: | 49 |
| TPSA: | 203.81 | NumAromaticRings: | 3 |
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 |
AD20575
Formula: C25H28O5N4
Smiles:
CNC(=O)CN(C)C(=O)C1C2C(=O)N(c3ccccc3)C(=O)C2C(c2ccccc2OC)N1C| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.52 | Num_heavy_atoms: | 34 |
| TPSA: | 99.26 | NumAromaticRings: | 2 |
