Glycoside
GD030405
Name:
NoneFormula:
C28H51O15N5Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H]2O[C@H]3O[C@@H](CO)[C@@H](O[C@H]4O[C@@H](CNC(=O)CCCCO[C@@H]12)[C@H](O)[C@@H](O)[C@H]4N)[C@@H]3OAglycone:
NC1CC(N)C2OCCCCC(=O)NCC3OC(OC4C(CO)OC(OC2C1O)C4O)C(N)C(O)C3OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.96 |
| AlogP: | -7.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 697.74 | Num_heavy_atoms: | 48 |
| TPSA: | 339.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD19675
Formula: C22H40O11N4
Smiles:
NC1CC(N)C2OCCCCC(=O)NCC3OC(OC4C(CO)OC(OC2C1O)C4O)C(N)C(O)C3O| HBA: | 15 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | -5.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 536.58 | Num_heavy_atoms: | 37 |
| TPSA: | 254.46 | NumAromaticRings: | 0 |
