Glycoside
GD089495
Name:
NoneFormula:
C21H31O6N3ClSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
C[NH+]1CCN(c2ccc(C(=O)NCCO)cc2Cl)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.94 | Num_heavy_atoms: | 30 |
| TPSA: | 115.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD39044
Formula: C15H21O2N3Cl
Smiles:
C[NH+]1CCN(c2ccc(C(=O)NCCO)cc2Cl)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.79 | Num_heavy_atoms: | 20 |
| TPSA: | 57.01 | NumAromaticRings: | 1 |
