Glycoside
GD024640
Name:
NoneFormula:
C31H48O12N6Smiles:
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@]3(C)O)c2n1Aglycone:
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2c(c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 696.76 | Num_heavy_atoms: | 49 |
| TPSA: | 225.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD16423
Formula: C25H37O8N6
Smiles:
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2c(c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1)N=C[N]2| HBA: | 14 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 549.61 | Num_heavy_atoms: | 39 |
| TPSA: | 163.92 | NumAromaticRings: | 1 |
