Glycoside
GD022907
Name:
NoneFormula:
C34H43O6N7Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(Nc4ccc(CCNC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc(C(C)(C)C)c1OSugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 645.76 | Num_heavy_atoms: | 47 |
| TPSA: | 183.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD14395
Formula: C28H33O2N6
Smiles:
CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc(C(C)(C)C)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.61 | Num_heavy_atoms: | 36 |
| TPSA: | 113.6 | NumAromaticRings: | 3 |
