Glycoside
GD017063
Name:
NoneFormula:
C42H48O15N2Smiles:
O=C(NCCOCCNC(=O)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
O=C(NCCOCCNC(=O)c1cccc(-c2ccc(O)cc2)c1)c1cccc(-c2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 16 |
| MolWt: | 820.85 | Num_heavy_atoms: | 59 |
| TPSA: | 266.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD12225
Formula: C30H28O5N2
Smiles:
O=C(NCCOCCNC(=O)c1cccc(-c2ccc(O)cc2)c1)c1cccc(-c2ccc(O)cc2)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 496.56 | Num_heavy_atoms: | 37 |
| TPSA: | 107.89 | NumAromaticRings: | 4 |
