Glycoside
GD006259
Name:
NoneFormula:
C31H27O10N5Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc[nH]1Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.23 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 629.58 | Num_heavy_atoms: | 46 |
| TPSA: | 225.76 | NumAromaticRings: | 6 |
Unique Aglycone
AD05194
Formula: C25H17O5N5
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc[nH]1| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.04 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 467.44 | Num_heavy_atoms: | 35 |
| TPSA: | 146.61 | NumAromaticRings: | 6 |
