Glycoside
GD066036
Name:
NoneFormula:
C16H20O6N3ClSmiles:
O=C(C(=O)N1CCN(c2ccc(Cl)cn2)CC1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Clc1ccc(N2CCNCC2)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 373.79 | Num_heavy_atoms: | 25 |
| TPSA: | 134.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD31715
Formula: C10H12N3Cl
Smiles:
Clc1ccc(N2CCNCC2)nc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 197.67 | Num_heavy_atoms: | 13 |
| TPSA: | 28.16 | NumAromaticRings: | 1 |
