Glycoside
GD028376
Name:
NoneFormula:
C29H40O4N7ClSmiles:
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cc(Cl)c3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1.Nc1ncnc2c1C(Cl)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.13 | Num_heavy_atoms: | 40 |
| TPSA: | 150.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD00137
Formula: C18H31ON3
Smiles:
CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 305.47 | Num_heavy_atoms: | 22 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
AD13024
Formula: C7H4N4Cl
Smiles:
Nc1ncnc2c1C(Cl)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.58 | Num_heavy_atoms: | 11 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
