Glycoside
GD014388
Name:
NoneFormula:
C60H58O11N6Smiles:
O=C([C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)N1CCN(c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)CC1Aglycone:
C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(N4CC[N]CC4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1Sugarmoiety:
O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 17 | RingCount: | 11 |
| HBD: | 10 | FractionCSP3: | 0.25 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 13 |
| MolWt: | 1039.15 | Num_heavy_atoms: | 77 |
| TPSA: | 261.21 | NumAromaticRings: | 7 |
Unique Aglycone
AD10582
Formula: C48H37N6
Smiles:
C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccc(N4CC[N]CC4)cc3)c3ccc([nH]3)c2-c2ccccc2)C=C1| HBA: | 6 | RingCount: | 10 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 10.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 697.87 | Num_heavy_atoms: | 54 |
| TPSA: | 74.7 | NumAromaticRings: | 7 |
