Glycoside
GD010330
Name:
NoneFormula:
C34H36O9N3ClSmiles:
C[C@H](Cl)[C@@H]1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c3ccccc3c21Aglycone:
CC(Cl)C1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.12 | Num_heavy_atoms: | 46 |
| TPSA: | 165.02 | NumAromaticRings: | 4 |
Unique Aglycone
AD03127
Formula: C28H28O3N3Cl
Smiles:
CC(Cl)C1CN(C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)c2cc(O)c3ccccc3c21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.99 | Num_heavy_atoms: | 34 |
| TPSA: | 68.8 | NumAromaticRings: | 4 |
