Glycoside
GD021978
Name:
NoneFormula:
C30H50O10N6Smiles:
CCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCC(=O)NCCCCC(NC(=O)C(N)CC(C)C)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 20 |
| MolWt: | 654.76 | Num_heavy_atoms: | 46 |
| TPSA: | 255.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD14954
Formula: C22H42O5N4
Smiles:
CCCCCCCC(=O)NCCCCC(NC(=O)C(N)CC(C)C)C(=O)NCC(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 18 |
| MolWt: | 442.6 | Num_heavy_atoms: | 31 |
| TPSA: | 150.62 | NumAromaticRings: | 0 |
