Glycoside
GD030712
Name:
NoneFormula:
C22H43O13N5Smiles:
NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@H](OC2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1OC1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1OAglycone:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.95 |
| AlogP: | -8.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 585.61 | Num_heavy_atoms: | 40 |
| TPSA: | 331.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD02366
Formula: C10H21O5N3
Smiles:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.29 | Num_heavy_atoms: | 18 |
| TPSA: | 162.06 | NumAromaticRings: | 0 |
