Glycoside
GD007699
Name:
NoneFormula:
C36H50O12N6SSmiles:
CSCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1C(N)=OAglycone:
CSCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CC(O)CC1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 18 |
| MolWt: | 790.89 | Num_heavy_atoms: | 55 |
| TPSA: | 296.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD06241
Formula: C30H40O7N6S
Smiles:
CSCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CC(O)CC1C(N)=O| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 15 |
| MolWt: | 628.75 | Num_heavy_atoms: | 44 |
| TPSA: | 217.18 | NumAromaticRings: | 2 |
