Glycoside
GD000580
Name:
NoneFormula:
C22H36O12N2Smiles:
CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCC(=O)O)[C@H](C)O[C@@H]1O[C@H](C)[C@H](O)C(O)C1OAglycone:
CCOC(=O)C(NC(=O)C1CC(O)CN1C(=O)CCCC(=O)O)C(C)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 520.53 | Num_heavy_atoms: | 36 |
| TPSA: | 212.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD00630
Formula: C16H26O8N2
Smiles:
CCOC(=O)C(NC(=O)C1CC(O)CN1C(=O)CCCC(=O)O)C(C)O| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 374.39 | Num_heavy_atoms: | 26 |
| TPSA: | 153.47 | NumAromaticRings: | 0 |
