Glycoside
GD033823
Name:
NoneFormula:
C35H36O13N2Smiles:
Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H](C)N(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)C(=O)Oc2ccc(O)cc2)cc1Aglycone:
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)N(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 692.67 | Num_heavy_atoms: | 50 |
| TPSA: | 218.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD21562
Formula: C29H28O7N2
Smiles:
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)N(CC(=O)O)C(=O)Oc2ccc(O)cc2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 5.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 516.55 | Num_heavy_atoms: | 38 |
| TPSA: | 122.33 | NumAromaticRings: | 4 |
