Glycoside
GD017630
Name:
NoneFormula:
C41H81O13N7Smiles:
CCCCCCCCCCCCCCCCCC(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CN)[C@H](O)[C@H](O)[C@H]1NAglycone:
CCCCCCCCCCCCCCCCCC(=O)NC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.98 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 26 |
| MolWt: | 880.13 | Num_heavy_atoms: | 61 |
| TPSA: | 361.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD00988
Formula: C19H39ON
Smiles:
CCCCCCCCCCCCCCCCCC(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 16 |
| MolWt: | 297.53 | Num_heavy_atoms: | 21 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
