Glycoside
GD006974
Name:
NoneFormula:
C34H30O11N4Smiles:
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)N1NCc1cccc(CO)c1Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(CO)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 670.63 | Num_heavy_atoms: | 49 |
| TPSA: | 230.2 | NumAromaticRings: | 6 |
Unique Aglycone
AD05711
Formula: C28H20O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(CO)c1| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.49 | Num_heavy_atoms: | 38 |
| TPSA: | 151.05 | NumAromaticRings: | 6 |
