Glycoside
GD027406
Name:
NoneFormula:
C37H40O8N8Smiles:
O=C(CCc1ccc(O)cc1)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
O=C(CCc1ccc(O)cc1)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 15 |
| MolWt: | 724.78 | Num_heavy_atoms: | 53 |
| TPSA: | 233.08 | NumAromaticRings: | 5 |
Unique Aglycone
AD18014
Formula: C32H31O4N8
Smiles:
O=C(CCc1ccc(O)cc1)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 13 |
| MolWt: | 591.65 | Num_heavy_atoms: | 44 |
| TPSA: | 171.8 | NumAromaticRings: | 4 |
