Glycoside
GD018416
Name:
NoneFormula:
C27H32O8N4SSmiles:
O=C(Cc1csc(N[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)n1)Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1Aglycone:
Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 12 |
| MolWt: | 572.64 | Num_heavy_atoms: | 40 |
| TPSA: | 193.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD12995
Formula: C21H24O2N4S
Smiles:
Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 396.52 | Num_heavy_atoms: | 28 |
| TPSA: | 100.27 | NumAromaticRings: | 3 |
