Glycoside
GD072788
Name:
NoneFormula:
C16H20O7N3ClSmiles:
O=C(C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Clc1cc(OC2CCNCC2)ncn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 389.79 | Num_heavy_atoms: | 26 |
| TPSA: | 153.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD33877
Formula: C10H12ON3Cl
Smiles:
Clc1cc(OC2CCNCC2)ncn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 213.67 | Num_heavy_atoms: | 14 |
| TPSA: | 47.04 | NumAromaticRings: | 1 |
