Glycoside
GD089265
Name:
NoneFormula:
C21H31O5N3ClSmiles:
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O)NCCN1CCOCC1Aglycone:
CC(=O)NCCN1CCOCC1.C[NH2+]Cc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 428.94 | Num_heavy_atoms: | 29 |
| TPSA: | 107.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD30366
Formula: C8H16O2N2
Smiles:
CC(=O)NCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.23 | Num_heavy_atoms: | 12 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
AD36253
Formula: C9H11NCl
Smiles:
C[NH2+]Cc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.64 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
