Glycoside
GD018863
Name:
NoneFormula:
C34H46O4N8Smiles:
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 630.79 | Num_heavy_atoms: | 46 |
| TPSA: | 149.69 | NumAromaticRings: | 4 |
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 |
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
