Glycoside
GD013364
Name:
NoneFormula:
C23H45O12N5Smiles:
C[C@H](N)[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H]([C@H](C)O)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](NC(=O)[C@H](O)CCN)[C@H]2O)[C@H](O)[C@H]1OAglycone:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC(N)C1OC(O)C(O)C1O.CC(O)C1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.96 |
| AlogP: | -7.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 583.64 | Num_heavy_atoms: | 40 |
| TPSA: | 311.71 | 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 |
