Glycoside
GD024322
Name:
NoneFormula:
C41H66O8N6SSmiles:
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](C(C)C)N(C)C)C(C)CAglycone:
CCC(C)C(C(CC(=O)NC)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C.O=CNC(Cc1ccccc1)c1nccs1Sugarmoiety:
COC1C(O)OC(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 22 |
| MolWt: | 803.08 | Num_heavy_atoms: | 56 |
| TPSA: | 160.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD16249
Formula: C23H46O4N4
Smiles:
CCC(C)C(C(CC(=O)NC)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 13 |
| MolWt: | 442.65 | Num_heavy_atoms: | 31 |
| TPSA: | 90.98 | 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 |
