Glycoside
GD021087
Name:
NoneFormula:
C36H36O6N10S2Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCN=C(S)Nc1cccc(N=C=S)c1Aglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1cccc(N=C=S)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 768.88 | Num_heavy_atoms: | 54 |
| TPSA: | 220.5 | NumAromaticRings: | 5 |
Unique Aglycone
AD14463
Formula: C31H27O2N10S2
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1cccc(N=C=S)c1| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 635.76 | Num_heavy_atoms: | 45 |
| TPSA: | 159.22 | NumAromaticRings: | 4 |
