Glycoside
GD029623
Name:
NoneFormula:
C52H83O23N11Smiles:
CCCCCCCCCCC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C[C@@H]1CC(=O)N[C@H](CO)C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H]([C@H](O)C(N)=O)C(=O)N1Aglycone:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(=O)NC(CO)C(=O)NC(C(O)c2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(O)C(N)=O)C(=O)N1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 3 |
| HBD: | 24 | FractionCSP3: | 0.67 |
| AlogP: | -9.22 | Num_rotatable_bonds: | 26 |
| MolWt: | 1230.29 | Num_heavy_atoms: | 86 |
| TPSA: | 582.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD19253
Formula: C47H75O19N11
Smiles:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(=O)NC(CO)C(=O)NC(C(O)c2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C(O)C(N)=O)C(=O)N1| HBA: | 30 | RingCount: | 2 |
| HBD: | 22 | FractionCSP3: | 0.64 |
| AlogP: | -7.69 | Num_rotatable_bonds: | 24 |
| MolWt: | 1098.17 | Num_heavy_atoms: | 77 |
| TPSA: | 523.91 | NumAromaticRings: | 1 |
