Glycoside
GD001148
Name:
NoneFormula:
C41H83O14N11Smiles:
CN(CC(=O)NCCCCCCO[C@@H]1[C@H](CN)O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H]1O)CC(=O)NCCCCCCO[C@@H]1[C@H](CN)O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H]1OAglycone:
CN(CC(=O)NCCCCCCO)CC(=O)NCCCCCCO.NC1CC(N)C(O)C(O)C1O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 24 | FractionCSP3: | 0.95 |
| AlogP: | -7.88 | Num_rotatable_bonds: | 26 |
| MolWt: | 954.18 | Num_heavy_atoms: | 66 |
| TPSA: | 446.36 | 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 |
AD01197
Formula: C17H35O4N3
Smiles:
CN(CC(=O)NCCCCCCO)CC(=O)NCCCCCCO| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 16 |
| MolWt: | 345.48 | Num_heavy_atoms: | 24 |
| TPSA: | 101.9 | NumAromaticRings: | 0 |
