Glycoside
GD028232
Name:
NoneFormula:
C49H43O11N9SSmiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Aglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.18 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 966.0 | Num_heavy_atoms: | 70 |
| TPSA: | 295.55 | NumAromaticRings: | 6 |
Unique Aglycone
AD18473
Formula: C44H34O7N9S
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.09 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 13 |
| MolWt: | 832.88 | Num_heavy_atoms: | 61 |
| TPSA: | 234.27 | NumAromaticRings: | 5 |
