Glycoside
GD000055
Name:
NoneFormula:
C24H48O12N6Smiles:
C[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](NC(=O)[C@H](O)CCN)[C@H]2OCCO)[C@H](O)[C@H](O)[C@H]1NAglycone:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1OCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1N.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.96 |
| AlogP: | -7.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 612.68 | Num_heavy_atoms: | 42 |
| TPSA: | 326.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD00074
Formula: C12H25O6N3
Smiles:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1OCCO| HBA: | 9 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 171.29 | NumAromaticRings: | 0 |
