Glycoside
GD016936
Name:
NoneFormula:
C35H36O10N4Smiles:
COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)cc(CC(C)(C)C(=O)O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)cc5C)[nH]c4c3)o2)cc1Aglycone:
COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)cc(CC(C)(C)C(=O)O)cc5C)[nH]c4c3)o2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.69 | Num_heavy_atoms: | 49 |
| TPSA: | 210.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD12140
Formula: C29H28O4N4
Smiles:
COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)cc(CC(C)(C)C(=O)O)cc5C)[nH]c4c3)o2)cc1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 6.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.57 | Num_heavy_atoms: | 37 |
| TPSA: | 114.13 | NumAromaticRings: | 5 |
