Glycoside
GD013347
Name:
NoneFormula:
C28H30O12N2Smiles:
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(CO)cc(CO)n1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(c1ccccc1)(c1ccccc1)C(Oc1nc(CO)cc(CO)n1)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 11 |
| MolWt: | 586.55 | Num_heavy_atoms: | 42 |
| TPSA: | 218.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD09974
Formula: C22H22O6N2
Smiles:
COC(c1ccccc1)(c1ccccc1)C(Oc1nc(CO)cc(CO)n1)C(=O)O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 410.43 | Num_heavy_atoms: | 30 |
| TPSA: | 122.0 | NumAromaticRings: | 3 |
