Glycoside
GD036122
Name:
NoneFormula:
C40H64O8N6SSmiles:
CC[C@H](C)[C@H]([C@H](CC(=O)NC[C@@H]1O[C@H](C(=O)N[C@H](Cc2ccccc2)c2nccs2)[C@H](OC)[C@H]1OC)OC)N(C)C(=O)[C@H](NC(=O)[C@H](NC)C(C)C)C(C)CAglycone:
CCC(C)C(C(CC(=O)NC)OC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C.O=CNC(Cc1ccccc1)c1nccs1Sugarmoiety:
COC1C(O)OC(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 22 |
| MolWt: | 789.05 | Num_heavy_atoms: | 55 |
| TPSA: | 169.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD15934
Formula: C22H44O4N4
Smiles:
CCC(C)C(C(CC(=O)NC)OC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 428.62 | Num_heavy_atoms: | 30 |
| TPSA: | 99.77 | NumAromaticRings: | 0 |
AD16250
Formula: C12H12ON2S
Smiles:
O=CNC(Cc1ccccc1)c1nccs1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.31 | Num_heavy_atoms: | 16 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
