Glycoside
GD003218
Name:
NoneFormula:
C46H66O7N8Smiles:
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 6.4 | Num_rotatable_bonds: | 28 |
| MolWt: | 843.08 | Num_heavy_atoms: | 61 |
| TPSA: | 212.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD02936
Formula: C41H57O3N8
Smiles:
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.51 |
| AlogP: | 8.35 | Num_rotatable_bonds: | 26 |
| MolWt: | 709.96 | Num_heavy_atoms: | 52 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
