Glycoside
GD008807
Name:
NoneFormula:
C33H28O10N4Smiles:
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)N1NCc1ccccc1Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 640.61 | Num_heavy_atoms: | 47 |
| TPSA: | 209.97 | NumAromaticRings: | 6 |
Unique Aglycone
AD06988
Formula: C27H18O5N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccccc1| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.04 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 478.46 | Num_heavy_atoms: | 36 |
| TPSA: | 130.82 | NumAromaticRings: | 6 |
