Glycoside
GD002120
Name:
NoneFormula:
C29H44O17N2Smiles:
COC(=O)c1cccc(OCCNC(=O)COCC(=O)NCCCO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1cccc(OCCNC(=O)COCC(=O)NCCCO)c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -4.87 | Num_rotatable_bonds: | 18 |
| MolWt: | 692.67 | Num_heavy_atoms: | 48 |
| TPSA: | 281.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD02053
Formula: C17H24O7N2
Smiles:
COC(=O)c1cccc(OCCNC(=O)COCC(=O)NCCCO)c1| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 368.39 | Num_heavy_atoms: | 26 |
| TPSA: | 123.19 | NumAromaticRings: | 1 |
