Glycoside
GD102136
Name:
NoneFormula:
C24H31O8N2ClSmiles:
CC(C)(C)OC(=O)N1CC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)c2cc(Cl)ccc21Aglycone:
CC(C)(C)OC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.96 | Num_heavy_atoms: | 34 |
| TPSA: | 147.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD43227
Formula: C18H23O2N2Cl
Smiles:
CC(C)(C)OC(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 322.84 | Num_heavy_atoms: | 22 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
