Glycoside
GD004367
Name:
NoneFormula:
C36H47O7N5Cl2SSmiles:
CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)NCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClAglycone:
CN(C)C(=O)NCCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 740.75 | Num_heavy_atoms: | 49 |
| TPSA: | 160.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD03823
Formula: C31H37O2N5Cl2S
Smiles:
CN(C)C(=O)NCCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.62 | Num_heavy_atoms: | 39 |
| TPSA: | 59.13 | NumAromaticRings: | 2 |
