Glycoside
GD025785
Name:
NoneFormula:
C35H46O6N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc(C(C)(C)C)c1O.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 674.8 | Num_heavy_atoms: | 49 |
| TPSA: | 209.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD17061
Formula: C28H34O2N7
Smiles:
CC(C)(C)c1cc(C(=O)Nc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc(C(C)(C)C)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.63 | Num_heavy_atoms: | 37 |
| TPSA: | 139.62 | NumAromaticRings: | 3 |
