Glycoside
GD015463
Name:
NoneFormula:
C49H49O10N2ClSmiles:
CN(C)c1ccc2c(-c3ccc(C(=O)CCCCOc4ccc(Cc5cc([C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)ccc5Cl)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1Aglycone:
CN(C)c1ccc2c(-c3ccc(C(=O)CCCCOc4ccc(Cc5ccccc5Cl)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 14 |
| MolWt: | 849.38 | Num_heavy_atoms: | 61 |
| TPSA: | 175.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD11231
Formula: C43H39O5N2Cl
Smiles:
CN(C)c1ccc2c(-c3ccc(C(=O)CCCCOc4ccc(Cc5ccccc5Cl)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1| HBA: | 7 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 7.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 687.24 | Num_heavy_atoms: | 50 |
| TPSA: | 85.82 | NumAromaticRings: | 4 |
