Glycoside
GD019580
Name:
NoneFormula:
C37H73O13N7Smiles:
CCCCCCCCCCCCCC(=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:
CCCCCCCCCCCCCC(=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: | 0.97 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 22 |
| MolWt: | 824.03 | Num_heavy_atoms: | 57 |
| 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 |
AD13653
Formula: C15H31ON
Smiles:
CCCCCCCCCCCCCC(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 241.42 | Num_heavy_atoms: | 17 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
