Glycoside
GD034772
Name:
NoneFormula:
C30H37O3N7Smiles:
Cc1cc(C)cc(-c2nc(NC3CC4CCC3C4)c3ncn([C@@H]4O[C@H](Cn5nc(C)cc5C)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
Cc1cc(C)cc(-c2nc3c(c(NC4CC5CCC4C5)n2)N=C[N]3)c1.Cc1cc(C)n(C)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 543.67 | Num_heavy_atoms: | 40 |
| TPSA: | 123.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD00279
Formula: C6H10N2
Smiles:
Cc1cc(C)n(C)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.16 | Num_heavy_atoms: | 8 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
AD22068
Formula: C20H22N5
Smiles:
Cc1cc(C)cc(-c2nc3c(c(NC4CC5CCC4C5)n2)N=C[N]3)c1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.43 | Num_heavy_atoms: | 25 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
