Glycoside
GD022218
Name:
NoneFormula:
C38H50O7N8Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4ccc(NC(=O)CCC(=O)NCCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)c1cc(CCNC(=O)CCC(=O)Nc2ccc(CNc3ncnc4c3N=C[N]4)cc2)cc(C(C)(C)C)c1OSugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 730.87 | Num_heavy_atoms: | 53 |
| TPSA: | 212.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD15091
Formula: C32H40O3N7
Smiles:
CC(C)(C)c1cc(CCNC(=O)CCC(=O)Nc2ccc(CNc3ncnc4c3N=C[N]4)cc2)cc(C(C)(C)C)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.72 | Num_heavy_atoms: | 42 |
| TPSA: | 142.7 | NumAromaticRings: | 3 |
