Glycoside
GD001266
Name:
NoneFormula:
C30H49O11N3SSmiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC(N)=O)C[C@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]12CAglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(N)=O)CC(C)C(=O)C(C)C2NC(=S)OC12CSugarmoiety:
CN(C)C1CC(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 659.8 | Num_heavy_atoms: | 45 |
| TPSA: | 196.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD01301
Formula: C23H36O8N2S
Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(N)=O)CC(C)C(=O)C(C)C2NC(=S)OC12C| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.61 | Num_heavy_atoms: | 34 |
| TPSA: | 154.25 | NumAromaticRings: | 0 |
